Inositol 1,4-bis(phosphate)
[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Inositol diphosphate|Inositol 1,4-diphosphate|inositol 1,4-bisphosphate|inositol 1,4-bis(phosphate)|myo-inositol 1,4-bisphosphate|myo-inositol 1,4-diphosphate|KST-1B8575|D-myo-Inositol 3,6-bisphosphoric acid|L-myo-Inositol-1,4-bisphosphoric acid|D-MYO-INOSITOL-1,4-BISPHOSPHATE|D-myo-Inositol, 1,4-bis(dihydrogen phosphate)|myo-Inositol, 1,4-bis(dihydrogen phosphate)|1,2,3,4,5,6-cyclohexanehexol,1,4-bis(dihydrogen phosphate),(2r,3s,5s,6s)-|(1S,2R,3S,4S,5S,6S)-2,3,5,6-Tetrahydroxycyclohexane-1,4-diyl bis(dihydrogen phosphate)|[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate|{[(2S,3R,4S,5S,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid|(1S,2R,3S,4S,5S,6S)-2,3,5,6-Tetrahydroxycyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
| 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 | 372.0 |
Chemical Identifiers
| CAS Number | 77928-70-2 |
|---|---|
| SMILES | [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O |
| InChIKey | PELZSPZCXGTUMR-OHMVJDTGSA-N |
Product Overview
Inositol 1,4-bis(phosphate) (CAS 77928-70-2), with molecular formula C6H14O12P2 and molecular weight 339.99606 g/mol. IUPAC: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate.
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