Dioctanoyl phosphatidylcholine
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Basic information
- CAS
111466-75-2- Standard SMILES
CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC- InChIKey
YHIXRNNWDBPKPW-UHFFFAOYSA-N- Molecular formula
- C24H48NO8P
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.31175449
Names & identifiers
- Preferred name
- Dioctanoyl phosphatidylcholine
- IUPAC
- 2,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1,2-dioctanoylthiophosphatidylcholine
- Molecular weight
- 0
Names & synonyms
1,2-OctanoylphosphatidylcholineDoct-PC41017-85-01,2-Octanoyl-sn-glycero-3-phosphocholineRefChem:920376Dioctanoyl phosphatidylcholine1,2-Dioctanoylthiophosphatidylcholine111466-75-22,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, inner salt, 4-oxideDoct-S-PCDic8-S-PC
Show more names
SCHEMBL30697966DTXSID209121713-S-Phosphocholine-1,2-O-dioctanoyl-3-mercapto-1,2-propanediol4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-3,5,9-trioxa-4-phosphaheptadecan-1-aminium hydroxide, inner salt, 4-oxide, (+-)-PD0490352,3-Bis(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, hydroxide, inner salt, 4-oxide, (+-)-
Database identifiers
- CAS
111466-75-2、41017-85-0- PubChem CID
- 620428
- DTXSID
DTXSID20912171
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 24
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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