Cholesteryl phosphate
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Basic information
- CAS
4358-16-1- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(O)O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AVTXVDFKYBVTKR-DPAQBDIFSA-N- Molecular formula
- C27H47O4P
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.32119697
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Cholesteryl phosphate
- 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
- English name
- cholesteryl phosphate
- Molecular formula
- C27H47O4P
- Molecular weight
- 466.63
Names & synonyms
Cholesteryl phosphateCholesterylphosphate4358-16-1DTXSID50963050RefChem:125726DTXCID001390822Cholesterol 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 phosphatealpha-Cholestanyl phosphateSCHEMBL349478Cholest-5-en-3beta-yl dihydrogen phosphateCholest-5-en-3-ol (3beta)-, dihydrogen phosphate
Show more names
CHOL ESTERYL PHOSPHONATECholest-5-en-3-ol (3β)-, 3-(dihydrogen phosphate)
Database identifiers
- CAS
4358-16-1- PubChem CID
- 134573
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 569.62 · 569.620±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.111 · 1.111±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.881 · 1.881±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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