3-Dodecanoylpropanediol-1-phosphorylcholine
Basic information
- CAS
3476-42-4- Standard SMILES
CCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
PCTMWWLGUJMOJG-UHFFFAOYSA-O- Molecular formula
- C20H42NO7P
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.26988968
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 3-Dodecanoylpropanediol-1-phosphorylcholine
- IUPAC
- (3-dodecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 3-dodecanoylpropanediol-1-phosphorylcholine
- Molecular weight
- 0
Names & synonyms
LysolpcLPC-lysoLauroyl lysolecithin3-DppcLysolauroylphosphatidylcholineLauroyl lysophosphatidylcholine3-Lauroyl-propanediol-1-phosphorylcholine3-Dodecanoylpropanediol-1-phosphorylcholine3476-42-4RefChem:911289LPC 12:0SCHEMBL29651472
Show more names
3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
Database identifiers
- CAS
3476-42-4- PubChem CID
- 3045268
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 460
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Related reactions
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Compound notes
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