基本情報
- CAS
84062-61-3- 標準SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O- InChIKey
XPAXRSJGGFVTFM-VWLOTQADSA-N- 分子式
- C26H52NO8P
- 平均分子量
- 537.7 g/mol
- 単同位体質量
- 537.34305461
概要
RN given refers to (S)-isomer
名称と識別子
- 優先名称
- 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
- 英語名
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(S]
- 分子式
- C26H52NO8P
- 分子量
- 537.67
名称と別名
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
名称をさらに表示
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)-
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 111 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 26
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 615
物理化学的性質
- 外見
- 粘性油。
化学と産業
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補足説明
定義ChEBI: 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.
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化合物ノート
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