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Basic information
- CAS
120087-00-5- Standard SMILES
CC(C)CCC[C@@H](C)C1CCC2C3CC=C4CC(C(O)(CN(C)C)P(=O)(O)O)CC[C@]4(C)C3CC[C@@]21C- InChIKey
WJBFTCUMOCAKLX-DONHXRCRSA-N- Molecular formula
- C31H56NO4P
- Average molar mass
- 537.766 g/mol
- Monoisotopic mass
- 537.3946959
Names & identifiers
- Preferred name
- [1-(Cholest-5-en-3-yl)-2-(dimethylamino)-1-hydroxyethyl]phosphonic acid
- IUPAC
- {1-[(8xi,9xi,14xi,17xi)-Cholest-5-en-3-yl]-2-(dimethylamino)-1-hydroxyethyl}phosphonic acid
- English name
- cholesterylphosphoryldimethylethanolamine
- Molecular formula
- C31H56NO4P
- Molecular weight
- 537.76
Names & synonyms
cholesterylphosphoryldimethylethanolamineCholest-5-en-3-ol (3β)-, 3-[2-(dimethylamino)ethyl hydrogen phosphate]
Database identifiers
- CAS
120087-00-5- PubChem CID
- 129018
- DTXSID
DTXSID50923215
Properties
Physicochemical properties
- Boiling point
- 592.612 · 592.612±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.077 · 1.077±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.94 · 0.940±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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