Inositol 1,3,4-trisphosphate
[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: inositol 1,3,4-trisphosphate|Inositol 1,3,4-triphosphate|D-myo-Inositol 1,3,4-trisphosphate|1D-myo-Inositol 1,3,4-trisphosphate|1,3,4-Itp|I0146_SIGMA|myo-inositol 1,3,4-trisphosphate|(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL|D-myo-Inositol-1,3,4-triphosphate|Inositol 1,3,4-trisphosphoric acid|D-Myo-Inositol 1,3,4-tris(phosphate)|myo-Inositol 1,3,4-trisphosphoric acid|d-myo-inositol-1,3,4-tris(dihydrogen phosphate)|1D-myo-inositol 1,3,4-tris(dihydrogen phosphate)|D-myo-Inositol 1,3,4-tris-phosphate ammonium salt|I3S|{[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid|[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate|(((1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl)oxy)phosphonic acid|(1S,2S,3S,4S,5R,6R)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
| Molecular Formula | C6H15O15P3 |
|---|---|
| Molecular Weight | 419.96237 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 |
| Monoisotopic Mass | 419.96237 |
| Heavy Atoms | 24 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 98102-63-7 |
|---|---|
| SMILES | [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | MMWCIQZXVOZEGG-MLQGYMEPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Inositol 1,3,4-trisphosphate (CAS 98102-63-7), with molecular formula C6H15O15P3 and molecular weight 419.96237 g/mol. IUPAC: [(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
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