Cholestan-3-ol, dihydrogen phosphate, (3-alpha,5-alpha)-
[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
Also Known As: Epicholestanol phosphate|Cholestan-3-ol, dihydrogen phosphate, (3-alpha,5-alpha)-|5alpha-Cholestan-3alpha-yl dihydrogen phosphate|[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
| Molecular Formula | C27H49O4P |
|---|---|
| Molecular Weight | 468.33685 g/mol |
| LogP | 7.5856 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.33685 |
| Monoisotopic Mass | 468.33685 |
| Heavy Atoms | 32 |
| Complexity | 703.7699 |
Chemical Identifiers
| CAS Number | 57700-45-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)OP(=O)(O)O)C)C |
Product Overview
Cholestan-3-ol, dihydrogen phosphate, (3-alpha,5-alpha)- (CAS 57700-45-5), with molecular formula C27H49O4P and molecular weight 468.33685 g/mol. IUPAC: [(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate.