Basic information
- CAS
20479-58-7- Standard SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO- InChIKey
GACTWZZMVMUKNG-SLPGGIOYSA-N- Molecular formula
- C6H15O9P
- Average molar mass
- 262.15 g/mol
- Monoisotopic mass
- 262.04536905
Overview
D-glucitol 6-phosphate is the 6-O-phospho derivative of D-glucitol. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a glucitol phosphate and an alditol 6-phosphate. It is functionally related to a D-glucitol. It is a conjugate acid of a D-glucitol 6-phosphate(2-).
Names & identifiers
- Preferred name
- Sorbitol 6-phosphate
- IUPAC
- [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate
Names & synonyms
Sorbitol 6-phosphateSorbitol-6-phosphateD-glucitol 6-phosphate20479-58-7D-Glucitol, 6-(dihydrogen phosphate)CHEBI:17044DTXSID101315184[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate((2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl) dihydrogen phosphateRefChem:184453GlyTouCan:G39846RDDTXCID101745088
Show more names
G39846RD((2,3,4,5,6-pentahydroxyhexyl)oxy)phosphonic acid6-O-phosphono-D-glucitol;D-glucitol 6-(dihydrogen phosphate)(((2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl)oxy)phosphonic acidD-SORBITOL-6-PHOSPHATE6-O-phosphono-D-glucitolD-glucitol 6-(dihydrogen phosphate)S6P
Database identifiers
- CAS
20479-58-7- PubChem CID
- 152306
- DTXSID
DTXSID101315184- ChEBI
CHEBI:17044- Nikkaji
- J728.846H
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…