Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110098
Identification
Name: glucosamine 1,6-diphosphate
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C6H12NO11P2
Average Molecular Weight: 340.0198583819
Monoisotopic Molecular Weight: 340.0198583819
InChI Key: SHDYQZNYDQDWFM-UKFBFLRUSA-K
InChI: InChI=1S/C6H15NO11P2/c7-3-5(9)4(8)2(1-16-19(10,11)12)17-6(3)18-20(13,14)15/h2-6,8-9H,1,7H2,(H2,10,11,12)(H2,13,14,15)/p-3/t2-,3-,4-,5-,6+/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(OP([O-])(=O)[O-])C1(OC(OP([O-])(=O)[O-])C([N+])C(O)C(O)1)
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Hexose phosphates
Alternative Parents
Substituents
  • Hexose phosphate
  • Monosaccharide phosphate
  • Amino saccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Alcohol
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass336.1071ChemAxon
logP-1.0061ChemAxon
H-bond acceptors12ChemAxon
H-bond donors4ChemAxon
Rotatable bonds5ChemAxon
PSA237.3400ChemAxon
RO5 violations1ChemAxon
RO3 violations5ChemAxon
Refractivity54.5053ChemAxon
Atoms32ChemAxon
Rings1ChemAxon
Heavy atoms20ChemAxon
Hydrogen atoms12ChemAxon
Heteroatoms14ChemAxon
N/O atoms12ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers5ChemAxon
R/S chiral centers5ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycCPD0-1096