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Record Information
Version2.0
Created at2005-11-16 15:48:42 UTC
Updated at2021-06-29 00:47:02 UTC
NP-MRD IDNP0001389
Secondary Accession NumbersNone
Natural Product Identification
Common NameGlucose 6-phosphate
Description
Structure
Thumb
Synonyms
ValueSource
6-O-Phosphono-D-glucopyranoseChEBI
D-Glucose 6-phosphateChEBI
GLC6pChEBI
Robison esterChEBI
D-Glucose 6-phosphoric acidGenerator
Glucose 6-phosphoric acidGenerator
a-D-Glucose 6- phosphateHMDB
alpha-D-Glucose 6- phosphateHMDB
alpha-D-Glucose 6-phosphateHMDB
alpha-D-Hexose 6-phosphateHMDB
D(+)-Glucopyranose 6-phosphateHMDB
D-Glucose-6-dihydrogen phosphateHMDB
D-Hexose 6-phosphateHMDB
Glucose-6-phosphateHMDB
D-Glucopyranose 6-phosphoric acidHMDB
Glucose 6-phosphateKEGG
Chemical FormulaC6H13O9P
Average Mass260.1358 Da
Monoisotopic Mass260.02972 Da
IUPAC Name{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
Traditional Nameglucose 6-phosphate
CAS Registry Number56-73-5
SMILES
OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChI KeyNBSCHQHZLSJFNQ-GASJEMHNSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species Where Detected
Species NameSourceReference
Escherichia coliKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexose phosphates
Alternative Parents
Substituents
  • Hexose phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Oxane
  • Phosphoric acid ester
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility31.4 g/LALOGPS
logP-2.1ALOGPS
logP-3.1ChemAxon
logS-0.92ALOGPS
pKa (Strongest Acidic)1.22ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability21 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0001401
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB021818
KNApSAcK IDC00007306
Chemspider ID5743
KEGG Compound IDC00092
BioCyc IDD-glucose-6-phosphate
BiGG ID36977
Wikipedia LinkGlucose_6-phosphate
METLIN ID145
PubChem Compound5958
PDB IDNot Available
ChEBI ID4170
Good Scents IDNot Available
References
General References