Record Information
Version1.0
Creation date2010-04-08 22:09:03 UTC
Update date2018-05-28 23:27:26 UTC
Primary IDFDB010307
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameStarch, food, modified: distarch glycerol
DescriptionIt is used as a food additive .
CAS Number58944-89-1
Structure
Thumb
Synonyms
SynonymSource
Distarch glycerolbiospider
Poly(epichlorohydrin-co-starch)biospider
Starch, polymer with (chloromethyl)oxiranebiospider
Starch, polymer with 2-(chloromethyl)oxiranebiospider
Predicted Properties
PropertyValueSource
Water Solubility183 g/LALOGPS
logP-2.8ALOGPS
logP-8.6ChemAxon
logS-0.7ALOGPS
pKa (Strongest Acidic)11.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count27ChemAxon
Hydrogen Donor Count15ChemAxon
Polar Surface Area414.21 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity195.47 m³·mol⁻¹ChemAxon
Polarizability88.88 ųChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC36H64O27
IUPAC name5-[3-({2-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl}oxy)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-2,3,4-triol
InChI IdentifierInChI=1S/C36H64O27/c1-11-18(42)19(43)30(16(7-40)57-11)62-35-25(49)22(46)31(17(61-35)10-56-34-24(48)21(45)27(52-2)13(4-37)59-34)63-36-32(26(50)28(53-3)14(5-38)60-36)55-9-12(41)8-54-29-15(6-39)58-33(51)23(47)20(29)44/h11-51H,4-10H2,1-3H3
InChI KeyPUHWHSVUGDMLCA-UHFFFAOYSA-N
Isomeric SMILESCOC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCC(O)COC2C(CO)OC(O)C(O)C2O)C(O)C1O
Average Molecular Weight928.881
Monoisotopic Molecular Weight928.363496801
Classification
Description belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Glycerolipid
  • Glycerol ether
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Primary alcohol
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01t9-0900321116-46eba40514a5e874cb69View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01t9-0902210000-2b36c534376c3eb3e915View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01t9-0901010000-98f62b9802ad2661582fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-056r-0900123247-373c601ab435a4ae25a0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a6r-2900111024-51e4d7a823315802cc00View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-2900010000-59f17732448ec4b65a32View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24847849
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID3520
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference