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Showing Compound Starch, food, modified: hydroxypropyl distarch phosphate (FDB010313)

Record Information
Version1.0
Creation date2010-04-08 22:09:04 UTC
Update date2018-05-28 23:27:27 UTC
Primary IDFDB010313
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameStarch, food, modified: hydroxypropyl distarch phosphate
DescriptionStarch, food, modified: hydroxypropyl distarch phosphate belongs to the class of organic compounds known as oligosaccharide phosphates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more phosphate groups. Based on a literature review very few articles have been published on Starch, food, modified: hydroxypropyl distarch phosphate.
CAS Number53124-00-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Starch, FOOD, modified: hydroxypropyl distarch phosphoric acidGenerator
2-Hydroxypropyl starch hydrogen phosphatebiospider
Distarch phosphate, hydroxypropylatedbiospider
Hydroxypropyl distarch phosphatebiospider
Hydroxypropyl starch phosphatebiospider
Starch hydrogen phosphate 2-hydroxypropyl etherbiospider
Starch, hydrogen phosphate, 2-hydroxypropyl etherbiospider
Starch, hydrogen phosphate, 2-hydroxypropyletherbiospider
Predicted Properties
PropertyValueSource
Water Solubility47.6 g/LALOGPS
logP-2.2ALOGPS
logP-9ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count33ChemAxon
Hydrogen Donor Count17ChemAxon
Polar Surface Area517.89 ŲChemAxon
Rotatable Bond Count26ChemAxon
Refractivity247.51 m³·mol⁻¹ChemAxon
Polarizability113.55 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC44H79O35P
IUPAC name{[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}({5-[(5-{[3-(3-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-3-hydroxypropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-3,4-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl}oxy)phosphinic acid
InChI IdentifierInChI=1S/C44H79O35P/c1-14-32(78-80(61,62)79-38-19(12-49)71-41(66-5)27(56)25(38)54)30(59)36(17(10-47)69-14)76-43-29(58)24(53)37(20(74-43)13-68-42-28(57)22(51)33(63-2)15(8-45)72-42)77-44-39(31(60)34(64-3)16(9-46)73-44)67-7-6-21(50)75-35-18(11-48)70-40(65-4)26(55)23(35)52/h14-60H,6-13H2,1-5H3,(H,61,62)
InChI KeyDVROLKBAWTYHHD-UHFFFAOYSA-N
Isomeric SMILESCOC1OC(CO)C(OC(O)CCOC2C(O)C(OC)C(CO)OC2OC2C(COC3OC(CO)C(OC)C(O)C3O)OC(OC3C(CO)OC(C)C(OP(O)(=O)OC4C(CO)OC(OC)C(O)C4O)C3O)C(O)C2O)C(O)C1O
Average Molecular Weight1199.055
Monoisotopic Molecular Weight1198.413951242
Classification
Description Belongs to the class of organic compounds known as oligosaccharide phosphates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharide phosphates
Alternative Parents
Substituents
  • Oligosaccharide phosphate
  • Hexose phosphate
  • Glycosyl compound
  • O-glycosyl compound
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Hemiacetal
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary 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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a5i-2920500500-8133b177900d8047f8982016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0ap0-1410920500-e93c4ab745734c1491322016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-06tk-1920510100-ba74fb119baa00af66932016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-2900100100-f75f8c32fce7ea7085d42016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00or-4900300100-ffcc0f8d6f7643fe1a502016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0fnc-9640300100-22ac95126dd5087db8632016-08-03View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24847848
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 ID3526
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