1-Dodecylpropanediol-3-phosphocholine
Basic information
- CAS
73073-46-8- Standard SMILES
CCCCCCCCCCCCOCC(O)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
URUYDXJUCOUNCY-UHFFFAOYSA-N- Molecular formula
- C20H44NO6P
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.29062512
Overview
lysolecithin analog
Names & identifiers
- Preferred name
- 1-Dodecylpropanediol-3-phosphocholine
- IUPAC
- (3-dodecoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Names & synonyms
1-Dodecylpropanediol-3-phosphocholine73073-46-83,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxideRefChem:907582LPC O-12:0DTXSID309938353-(Dodecyloxy)-2-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
73073-46-8- PubChem CID
- 192026
- DTXSID
DTXSID30993835
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 394
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Related reactions
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Compound notes
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