Basic information
- CAS
13270-18-3- Standard SMILES
O=P(O)(O)OCC(O)C(O)C(O)C(O)CO- InChIKey
GACTWZZMVMUKNG-UHFFFAOYSA-N- Molecular formula
- C6H15O9P
- Average molar mass
- 262.15 g/mol
- Monoisotopic mass
- 262.04536905
Overview
Alditol 6-phosphate is an alditol phosphate.
Names & identifiers
- Preferred name
- 1-O-Phosphonohexitol
- IUPAC
- 2,3,4,5,6-pentahydroxyhexyl dihydrogen phosphate
Names & synonyms
1-o-phosphonohexitolDTXSID2086464113270-18-3RefChem:1056133DTXCID00813137Alditol 6-phosphateD-Mannitol, 1-(dihydrogen phosphate)Hexitol 1-phosphatealditol 6-phosphatesglucitol-6-phosphateD-mannitol-6-phosphate[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]phosphonic acid
Show more names
SCHEMBL1403636CHEMBL1161480CHEBI:35375GACTWZZMVMUKNG-UHFFFAOYSA-ND-mannitol, 1-(dihydrogenphosphate)NS00015241C02810557289DD-0CE1-413F-95C3-7D32A68CF688
Database identifiers
- CAS
13270-18-3、20479-58-7- PubChem CID
- 618
- DTXSID
DTXSID20864641- ChEMBL
CHEMBL1161480- ChEBI
CHEBI:35375- Nikkaji
- J2.739.720D
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
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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