AC1L4DXV
[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Inositol 1,2-bisphosphate|L-myo-Inositol 3,4-bisphosphoric acid|D-myo-Inositol, 3,4-bis(dihydrogen phosphate)|J2.516.424E|[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate|{[(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid|IP2
| Molecular Formula | C6H14O12P2 |
|---|---|
| Molecular Weight | 339.99606 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.99606 |
| Monoisotopic Mass | 339.99606 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 69256-53-7 |
|---|---|
| SMILES | [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O |
| InChIKey | MCKAJXMRULSUKI-XCMZKKERSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4DXV (CAS 69256-53-7), with molecular formula C6H14O12P2 and molecular weight 339.99606 g/mol. IUPAC: [(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate.
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