1-O-Hexadecyl-3-chloro-3-deoxy-rac-glycero-2-phosphocholine
Basic information
- CAS
130157-45-8- Standard SMILES
CCCCCCCCCCCCCCCCOC[C@H](CCl)OP(=O)(O)OCC[N+](C)(C)C- InChIKey
ICOULMOAFATEPR-DEOSSOPVSA-O- Molecular formula
- C24H52ClNO5P+
- Average molar mass
- 501.1 g/mol
- Monoisotopic mass
- 500.3271635
Names & identifiers
- Preferred name
- 1-O-Hexadecyl-3-chloro-3-deoxy-rac-glycero-2-phosphocholine
- IUPAC
- 2-[[(2R)-1-chloro-3-hexadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Names & synonyms
1-O-Hexadecyl-3-chloro-3-deoxy-rac-glycero-2-phosphocholine130157-45-83,5,8-Trioxa-4-phosphatetracosan-1-aminium, 6-(chloromethyl)-4-hydroxy-N,N,N-trimethyl-, 4-oxideDTXSID60156375(6R)-6-(Chloromethyl)-4-hydroxy-N,N,N-trimethyl-4-oxo-3,5,8-trioxa-4lambda~5~-phosphatetracosan-1-aminium2-[[(1R)-1-(chloromethyl)-2-hexadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
Database identifiers
- CAS
130157-45-8- PubChem CID
- 452285
- DTXSID
DTXSID60156375
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 462
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Compound notes
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