Cholesteryl phosphate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
Also Known As: Cholesterol phosphate|Cholesteryl phosphate|Cholesterylphosphate|alpha-Cholestanyl phosphate|Phosphorsaeure-monocholesterylester|KST-1A4951|Phosphoric acid 3beta-cholesteryl ester|(3|A)-cholest-5-en-3-yl dihydrogen phosphate|Cholest-5-en-3beta-yl dihydrogen phosphate|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate|Cholest-5-en-3-ol (3beta)-, dihydrogen phosphate|{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}phosphonic acid
| Molecular Formula | C27H47O4P |
|---|---|
| Molecular Weight | 466.3212 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.3212 |
| Monoisotopic Mass | 466.3212 |
| Heavy Atoms | 32 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 4728-90-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)O)C)C |
| InChIKey | AVTXVDFKYBVTKR-DPAQBDIFSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl phosphate (CAS 4728-90-9), with molecular formula C27H47O4P and molecular weight 466.3212 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate.
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