1.0 2010-04-08 22:08:25 UTC 2018-05-28 23:21:21 UTC FDB009101 Carrageenan and salts of carrageenan It is used as a food additive . Carrageenan/carrageenan salt C42H74O46S6 1507.399 1506.17754912 (5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid (5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid 9000-07-1 COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1 DFXMOGHSMPQFMY-NEUCQFCTSA-N belongs to the class of organic compounds known as disaccharide sulfates. These are disaccharides carrying one or more sulfate group on a sugar unit. Disaccharide sulfates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1,4-dioxepanes Acetals Alkyl sulfates Dialkyl ethers Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Sulfuric acid monoesters Tetrahydrofurans 1,4-dioxepane Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl sulfate Dialkyl ether Dioxepane Disaccharide sulfate Ether Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Oxacycle Oxane Primary alcohol Secondary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Tetrahydrofuran logp -8.9 ChemAxon pka_strongest_acidic -2.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac (5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid ChemAxon average_mass 1507.399 ChemAxon mono_mass 1506.17754912 ChemAxon smiles COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O ChemAxon formula C42H74O46S6 ChemAxon inchi InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1 ChemAxon inchikey DFXMOGHSMPQFMY-NEUCQFCTSA-N ChemAxon polar_surface_area 288.41 ChemAxon refractivity 106.45 ChemAxon polarizability 50.62 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 16 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102990 Specdb::MsMs 102991 Specdb::MsMs 102992 Specdb::MsMs 168909 Specdb::MsMs 168910 Specdb::MsMs 168911 HMDB32195 #<Reference:0x000055ce3162a9a8>