Atrinositol
[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
| Molecular Formula | C6H15O15P3 |
|---|---|
| Molecular Weight | 420.1 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 261.0 A2 |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 28841-62-5 |
|---|---|
| SMILES | C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | GKDKOMAJZATYAY-GCVPSNMTSA-N |
📖 Product Overview
Atrinositol (CAS: 28841-62-5) is a chemical compound with molecular formula C6H15O15P3 and molecular weight 420.1 g/mol. Its IUPAC systematic name is [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
GKDKOMAJZATYAY-GCVPSNMTSA-N.
SMILES: C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O.
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