<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:14:57 UTC</creation_date>
  <update_date>2025-11-19 02:29:37 UTC</update_date>
  <accession>FDB020317</accession>
  <name>Potassium alginate</name>
  <description>Stabiliser, emulsifier, thickener, formulation aid

Potassium alginate is a chemical compound that is the potassium salt of alginic acid. It is an extract of seaweed and is used as a thickener in the food industry and as a gelling agent and emulsifier.</description>
  <synonyms>
    <synonym>Alginic acid potassium salt</synonym>
    <synonym>Alginic acid, potassium salt</synonym>
    <synonym>E402</synonym>
    <synonym>Potassium alginate</synonym>
    <synonym>Potassium polyalginate</synonym>
    <synonym>Potassium polymannuronate</synonym>
  </synonyms>
  <chemical_formula>C14H22O13</chemical_formula>
  <average_molecular_weight>398.3167</average_molecular_weight>
  <monisotopic_moleculate_weight>398.10604079</monisotopic_moleculate_weight>
  <iupac_name>3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid</iupac_name>
  <traditional_iupac>3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid</traditional_iupac>
  <cas_registry_number>9005-36-1</cas_registry_number>
  <smiles>COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O</smiles>
  <inchi>InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)</inchi>
  <inchikey>GKFPPCXIBHQRQT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.</description>
    <direct_parent>O-glucuronides</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbohydrates and carbohydrate conjugates</sub_class>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Acetals</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Dicarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Disaccharides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>O-glycosyl compounds</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxanes</alternative_parent>
      <alternative_parent>Pyrans</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>1-o-glucuronide</substituent>
      <substituent>Acetal</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Dicarboxylic acid or derivatives</substituent>
      <substituent>Disaccharide</substituent>
      <substituent>Ether</substituent>
      <substituent>Glycosyl compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>O-glucuronide</substituent>
      <substituent>O-glycosyl compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxane</substituent>
      <substituent>Pyran</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.15</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.74</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.17e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-2.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>2.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>398.3167</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>398.10604079</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C14H22O13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GKFPPCXIBHQRQT-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>201.67</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>77.57</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>35.46</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>58773</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>58774</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>58775</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>114783</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>114784</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>114785</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3441166</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3441167</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3441168</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3442096</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3442097</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3442098</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>115433</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>129789</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918670</spectrum_id>
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      <spectrum_id>918671</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918672</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918673</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918674</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918675</spectrum_id>
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      <type>Specdb::CMs</type>
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      <type>Specdb::CMs</type>
      <spectrum_id>918677</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918678</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>918679</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
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      <type>Specdb::CMs</type>
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      <type>Specdb::CMs</type>
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      <type>Specdb::CMs</type>
      <spectrum_id>918688</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>918689</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>918690</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>918691</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>918692</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
