Basic information
- CAS
13004-72-3- Standard SMILES
O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O- InChIKey
INAPMGSXUVUWAF-UHFFFAOYSA-N- Molecular formula
- C6H13O9P
- Average molar mass
- 260.14 g/mol
- Monoisotopic mass
- 260.02971899
Names & identifiers
- Preferred name
- Inositol, 1-(dihydrogen phosphate)
- IUPAC
- (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
Names & synonyms
DTXSID30862219Inositol, 1-(dihydrogen phosphate)13004-72-3RefChem:1087389DTXCID40811016573-35-3(2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphateDL-Myoinositol-1-phosphate 2 CHA(2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL)OXYPHOSPHONIC ACID[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acidInositol 1-monophosphateinositol-2-monophosphate
Show more names
DL-Myoinositol-1-phosphateDL-myo-Inositol-1-phosphateSCHEMBL113868CHEMBL281435[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphonic acidMI44565NS001222712,3,4,5,6-Pentahydroxycyclohexyl dihydrogen phosphate
Database identifiers
- CAS
13004-72-3- PubChem CID
- 9
- DTXSID
DTXSID30862219- ChEMBL
CHEMBL281435- Nikkaji
- J1.207.816A
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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