Inositol-1,2-cyclic-4,5-triphosphate
(2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate
Also Known As: Inositol cyclic trisphosphate|IN-1,2-Ctp|Inositol-1,2-cyclic-4,5-triphosphate|(2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate|2,4,7-trihydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphole-5,6-diyl bis[dihydrogen(phosphate)]|myo-Inositol, cyclic 1,2-(hydrogen phosphate) 4,5-bis(dihydrogen phosphate)|2,4,7-Trihydroxy-2-oxohexahydro-2H-1,3,2lambda~5~-benzodioxaphosphole-5,6-diyl bis[dihydrogen (phosphate)]
| Molecular Formula | C6H13O14P3 |
|---|---|
| Molecular Weight | 401.9518 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.9518 |
| Monoisotopic Mass | 401.9518 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 6306-05-4 |
|---|---|
| SMILES | C1(C2C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O2)O)O |
| InChIKey | BRKGTEDJKDFURA-UHFFFAOYSA-N |
Product Overview
Inositol-1,2-cyclic-4,5-triphosphate (CAS 6306-05-4), with molecular formula C6H13O14P3 and molecular weight 401.9518 g/mol. IUPAC: (2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate.
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