Basic information
- CAS
84062-61-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O- InChIKey
XPAXRSJGGFVTFM-VWLOTQADSA-N- Molecular formula
- C26H52NO8P
- Average molar mass
- 537.7 g/mol
- Monoisotopic mass
- 537.34305461
Overview
RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7S)-
- IUPAC
- [(2S)-2-acetyloxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(S]
- Molecular formula
- C26H52NO8P
- Molecular weight
- 537.67
Names & synonyms
PAGPC84062-61-31-Palmitoyl-2-acetyl-gpcDTXSID50232955CHEBI:75219PA-GPCRefChem:910673DTXCID801554461-palmitoyl-2-acetyl-glycerophosphocholine3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7S)-1-O-Palmitoyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine1-Palmitoyl-2-acetyl-sn-glycero-3-phosphocholine
Show more names
3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(S)-(
1-Palmitoyl-2-acetyl-sn-glycero-3-phosphorylcholine1-acyl-PAF(S)-2-Acetoxy-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate[(2S)-2-acetyloxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSCHEMBL299107163,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(S](2S)-2-(Acetyloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, hydroxide, inner salt, 4-oxide, (S)-
Database identifiers
- CAS
84062-61-3- PubChem CID
- 134690
- DTXSID
DTXSID50232955
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 26
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- form
- Viscous oil.
Chemistry & industry
Suppliers2 total
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and acetyl respectively.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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