Basic information
- CAS
69256-53-7- Standard SMILES
O=P(O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O- InChIKey
MCKAJXMRULSUKI-XCMZKKERSA-N- Molecular formula
- C6H14O12P2
- Average molar mass
- 340.12 g/mol
- Monoisotopic mass
- 339.99604987
Names & identifiers
- Preferred name
- [(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
- IUPAC
- [(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
Names & synonyms
D-myo-Inositol, 3,4-bis(dihydrogen phosphate)[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate69256-53-7SCHEMBL8994052
Database identifiers
- CAS
69256-53-7- PubChem CID
- 155271
- Nikkaji
- J2.516.424E
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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