1-O-octadecyl-2-azelaorylglycerophosphocholine
Basic information
- CAS
117320-06-6- Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O- InChIKey
SPJGRQXWAJFBBQ-UHFFFAOYSA-N- Molecular formula
- C35H70NO9P
- Average molar mass
- 679.9 g/mol
- Monoisotopic mass
- 679.47881981
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-O-octadecyl-2-azelaorylglycerophosphocholine
- IUPAC
- [2-(8-carboxyoctanoyloxy)-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-O-octadecyl-2-azelaorylglycerophosphocholine
- Molecular formula
- C35H70NO9P
- Molecular weight
- 679.905361
Names & synonyms
OAGPC117320-06-61-O-Octadecyl-2-azelaorylglycerophosphocholineRefChem:76721DTXSID309224032-[(8-Carboxyoctanoyl)oxy]-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 7-((8-carboxy-1-oxooctyl)oxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxideEthanaminium, 2-[[[2-[(8-carboxy-1-oxooctyl)oxy]-3-(octadecyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
Database identifiers
- CAS
117320-06-6- PubChem CID
- 164033
- DTXSID
DTXSID30922403
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 36
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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