Basic information
- CAS
110090-00-1- Standard SMILES
CCCCCCCCCCCCCCCCOCC(C)(COP(=O)([O-])OCC[N+](C)(C)C)OC- InChIKey
PMQJRYFJLGTDHG-UHFFFAOYSA-N- Molecular formula
- C26H56NO6P
- Average molar mass
- 509.7 g/mol
- Monoisotopic mass
- 509.3845255
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-O-hexadecyl-2-C,O-dimethylglycero-3-phosphocholine
- IUPAC
- (3-hexadecoxy-2-methoxy-2-methylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-O-hexadecyl-2-C,O-dimethylglycero-3-phosphocholine
- Molecular formula
- C26H56NO6P
- Molecular weight
- 509.699701
Names & synonyms
2-Methyl-2-methoxy-paf110090-00-11-O-Hexadecyl-2-C,O-dimethylglycero-3-phosphocholine1-O-Hexadecyl-2-methyl-2-methoxy-3-phosphatidylcholineRefChem:76705DTXSID109114913-(Hexadecyloxy)-2-methoxy-2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,7-tetramethyl-, hydroxide, inner salt, 4-oxide, (+-)-
Database identifiers
- CAS
110090-00-1- PubChem CID
- 130622
- DTXSID
DTXSID10911491
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 25
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 506
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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