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Record Information
Version1.0
Creation Date2016-05-27 02:03:47 UTC
Update Date2016-11-09 01:22:41 UTC
Accession NumberCHEM042466
Identification
Common Nameβ-D-glucose 1-phosphate
ClassSmall Molecule
DescriptionThe beta-anomer of D-glucose 1-phosphate.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
1-O-Phosphono-beta-D-glucopyranoseChEBI
1-Phospho-beta-D-glucopyranoseChEBI
1-O-Phosphono-b-D-glucopyranoseGenerator
1-O-Phosphono-β-D-glucopyranoseGenerator
1-Phospho-b-D-glucopyranoseGenerator
1-Phospho-β-D-glucopyranoseGenerator
b-D-Glucose 1-phosphateGenerator
b-D-Glucose 1-phosphoric acidGenerator
beta-D-Glucose 1-phosphoric acidGenerator
Β-D-glucose 1-phosphateGenerator
Β-D-glucose 1-phosphoric acidGenerator
Glucose-1-phosphate, lead saltMeSH
Glucose-1-phosphate, disodium saltMeSH
Glucose-1-phosphate, disodium salt, (D-GLC)-isomerMeSH
Glucose-1-phosphate, sodium salt, (D-GLC)-isomerMeSH
Glucose-1-phosphateMeSH
Glucose-1-phosphate, (D-GLC)-isomerMeSH
Glucose-1-phosphate, (beta-D-GLC)-isomerMeSH
alpha-Glucose-1-phosphateMeSH
Glucose-1-phosphate, monocalcium saltMeSH
beta-Glucose-1-phosphateMeSH
Glucose-1-phosphate, dipotassium saltMeSH
Glucose-1-phosphate, dipotassium salt, (D-GLC)-isomerMeSH
Dol-P-GLCMeSH
Dolichylglucose phosphateMeSH
Glucosylphosphoryldolicholbeta-D-glucopyranose, 1-ester with dolichol dihydrogen phosphateMeSH
Dolichol monophosphate glucoseMeSH
Dolichol-D-glucosylmonophosphateMeSH
Dolichyl monophosphate glucoseMeSH
GlucosylphosphodolicholMeSH
Chemical FormulaC6H13O9P
Average Molecular Mass260.136 g/mol
Monoisotopic Mass260.030 g/mol
CAS Registry NumberNot Available
IUPAC Name{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
Traditional Nameβ-D-glucose 1-phosphate
SMILES[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OP(O)(O)=O)[C@]1([H])O
InChI IdentifierInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChI KeyHXXFSFRBOHSIMQ-DVKNGEFBSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility32.3 g/LALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.36 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9240000000-d6ee97f6c2cc4c529090View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9240000000-06ae450e49c3ed95f599View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9100000000-983003b6233add18ea51View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6s-9380000000-95d403c269465c6fe3adView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9110000000-23bfc860bd8a296d442cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-dfc211275bafe42581aeView in MoNA
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDFDB031290
Phenol Explorer IDNot Available
KNApSAcK IDC00019553
BiGG IDNot Available
BioCyc IDCPD-448
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGlucose-1-phosphate
Chemspider IDNot Available
ChEBI ID16218
PubChem Compound ID122250
Kegg Compound IDC00663
YMDB IDNot Available
ECMDB IDECMDB20124
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available