2-(Hexadecyloxy)-3-[(2-tetradecylhexadecanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Basic information
- CAS
111394-18-4- Standard SMILES
CCCCCCCCCCCCCCCCOC(COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
VSCPAUFSCQMUTN-UHFFFAOYSA-N- Molecular formula
- C54H110NO7P
- Average molar mass
- 916.4 g/mol
- Monoisotopic mass
- 915.80199185
Names & identifiers
- Preferred name
- 2-(Hexadecyloxy)-3-[(2-tetradecylhexadecanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
- IUPAC
- [2-hexadecoxy-3-(2-tetradecylhexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Names & synonyms
DTXSID00859055111394-18-42-(Hexadecyloxy)-3-[(2-tetradecylhexadecanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-11-tetradecyl-, inner salt, 4-oxide
Database identifiers
- CAS
111394-18-4- PubChem CID
- 165367669
- DTXSID
DTXSID00859055
Properties
Computed structural properties
- XLogP
- 21.3
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 53
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 955
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Compound notes
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