Di-(8-methylstearoyl)phosphatidylcholine
Basic information
- CAS
114927-92-3- Standard SMILES
CCCCCCCCCCC(C)CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCCCC- InChIKey
CJASOXBQLCLECD-UHFFFAOYSA-N- Molecular formula
- C46H92NO8P
- Average molar mass
- 818.2 g/mol
- Monoisotopic mass
- 817.65605589
Names & identifiers
- Preferred name
- Di-(8-methylstearoyl)phosphatidylcholine
- IUPAC
- 2,3-bis(8-methyloctadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- English name
- di-(8-methylstearoyl)phosphatidylcholine
- Molecular formula
- C46H92NO8P
- Molecular weight
- 818.198341
Names & synonyms
Dspc-8M114927-92-3Di-(8-methylstearoyl)phosphatidylcholineRefChem:132476NSC625435CHEMBL2001347DTXSID90921553NSC-6254352,3-Bis[(8-methyloctadecanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate2-[2,3-bis(8-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium4-Hydroxy-8,8-dimethyl-1-(((8-methyloctadecanoyl)oxy)methyl)-4-oxido-3,5-dioxa-8.lambda.~5~-aza-4-phosphanon-1-yl 8-methyloctadecanoate
Database identifiers
- CAS
114927-92-3- PubChem CID
- 196707
- DTXSID
DTXSID90921553- ChEMBL
CHEMBL2001347
Properties
Computed structural properties
- XLogP
- 16.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 44
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 950
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Related reactions
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Compound notes
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