Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110552
Identification
Name: D-sorbitol 6-phosphate
Description:Not Available
Structure
Thumb
Synonyms:
  • D-glucitol 6-phosphate
Chemical Formula: C6H13O9P
Average Molecular Weight: 260.14
Monoisotopic Molecular Weight: 262.0453685904
InChI Key: GACTWZZMVMUKNG-SLPGGIOYSA-L
InChI: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5+,6+/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C(C(C(C(COP([O-])([O-])=O)O)O)O)O)O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Alkyl phosphate
  • Sugar alcohol
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • 1,2-diol
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (MANNITOL-1P)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer21872877 PubChem
Molecular Weight260.135 g/molPubChem
XLogP3-4.4 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count6 PubChem
Exact Mass260.03 g/molPubChem
Monoisotopic Mass260.03 g/molPubChem
Topological Polar Surface Area174 A^2PubChem
Heavy Atom Count16 PubChem
Formal Charge-2 PubChem
Complexity229 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count4 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • hexitol fermentation to lactate, formate, ethanol and acetateP461-PWY
  • D-sorbitol degradation IISORBDEG-PWY
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS108392-12-7
    ChEBI370698
    ChemSpider10618756
    IAF126036801
    KEGGC01096
    PubChem21872877