(2-{[(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase编号: 129042
• 分子式: C42H82NO8P
• 平均质量: 760.076141
• 单一同位素质量: 759.57780522
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/t40-/m1/s1
• InChIKey: WTJKGGKOPKCXLL-RRHRGVEJSA-N

名称和登记号

名称

• IUPAC标准名: (2-{[(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium; (2-{[(2R)-3-(hexadecanoyloxy)-2-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC传统名: (2-{[(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium; (2-{[(2R)-3-(hexadecanoyloxy)-2-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
• 别名: 1-Palmitoyl-2-oleoylphosphatidylcholine; POPC; (7R,17Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium 4-oxide, inner salt; 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine; 1-Hexadecanoyl-2-(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine; 3-sn-Phosphatidylcholine, 2-oleoyl-1-palmitoyl; L-β-Oleoyl-γ-palmitoyl-α-lecithin; PC(16:0/18:1(9Z)); PC(16:0/18:1); PC(16:0/18:1w9); POPC; 2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine

登记号

• CAS号: 26853-31-6
• EC号: 248-056-7
• MDL号: MFCD00043212
• Beilstein号: 4173237
• PubChem SID: 24898382; 162223343
• PubChem CID: 6506401; 5497103
• Chemspider ID: 4593686
• 维基百科标题: POPC

理论计算性质

• Acid pKa: 1.8550572
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 10.6645155
• LogD (pH = 7.4): 10.664612
• Log P: 8.641012
• 摩尔折射率: 226.1837 cm^3
• 极化性: 85.82576 Å^3
• 极化表面积: 111.19 Å^2
• 可自由旋转的化学键: 41
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95.5% (GC); ≥98% (TLC); ≥99.0% (TLC)
• 生物来源: from synthetic
• Empirical Formula (Hill Notation): C42H82NO8P

详细说明

Sigma Aldrich - 42773

General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.
Application
The effect of non-ionic detergent on liposomes was studied with giant POPC liposomes. Increasing concentrations of detergent cause tubular protrusions, then indentations, to develop on spherical liposomes. At higher detergent concentrations, the liposomes burst.1

Sigma Aldrich - P3017

General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.
Application
The effect of non-ionic detergent on liposomes was studied with giant POPC liposomes. Increasing concentrations of detergent cause tubular protrusions, then indentations, to develop on spherical liposomes. At higher detergent concentrations, the liposomes burst.1