2-O-Hexadecyl-1-chloro-1-deoxy-rac-glycero-3-phosphocholine
Basic information
- CAS
91649-89-7- Standard SMILES
CCCCCCCCCCCCCCCCO[C@H](CCl)COP(=O)(O)OCC[N+](C)(C)C- InChIKey
UWCMOAPWKNTQRP-XMMPIXPASA-O- Molecular formula
- C24H52ClNO5P+
- Average molar mass
- 501.1 g/mol
- Monoisotopic mass
- 500.3271635
Names & identifiers
- Preferred name
- 2-O-Hexadecyl-1-chloro-1-deoxy-rac-glycero-3-phosphocholine
- IUPAC
- 2-[[(2S)-3-chloro-2-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Names & synonyms
2-O-Hexadecyl-1-chloro-1-deoxy-rac-glycero-3-phosphocholine91649-89-73,5,8-Trioxa-4-phosphatetracosan-1-aminium, 7-(chloromethyl)-4-hydroxy-N,N,N-trimethyl-, 4-oxideDTXSID802386622-[[(2S)-3-chloro-2-hexadecoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium(7S)-7-(Chloromethyl)-4-hydroxy-N,N,N-trimethyl-4-oxo-3,5,8-trioxa-4lambda~5~-phosphatetracosan-1-aminium
Database identifiers
- CAS
91649-89-7- PubChem CID
- 452286
- DTXSID
DTXSID80238662
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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