Cholestan-3-ol, dihydrogen phosphate, disodium salt, (3-alpha,5-alpha)-
Basic information
- CAS
65242-49-1- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OP(=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]- InChIKey
CFEVYPBLBIYMOZ-CUTGYCSOSA-M- Molecular formula
- C27H48NaO4P
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.31879129
Names & identifiers
- Preferred name
- Cholestan-3-ol, dihydrogen phosphate, disodium salt, (3-alpha,5-alpha)-
- IUPAC
- sodium [(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] hydrogen phosphate
Names & synonyms
Epicholestanol phosphate, sodium saltCholestan-3-ol, dihydrogen phosphate, disodium salt, (3-alpha,5-alpha)-65242-49-1RefChem:333961
Database identifiers
- CAS
65242-49-1- PubChem CID
- 23698014
- Nikkaji
- J193.251I
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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