(2,3-dihydroxypropoxy)[(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphinic acid amine

• ChemBase编号: 154553
• 分子式: C40H80NO10P
• 平均质量: 766.037661
• 单一同位素质量: 765.5519844
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC.N
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(OCC(CO)O)O.N
• InChI: InChI=1S/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/t37?,38-;/m1./s1
• InChIKey: WFYVYFVKHCDATR-KQWGQSANSA-N

名称和登记号

名称

• IUPAC标准名: (2,3-dihydroxypropoxy)[(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphinic acid amine
• IUPAC传统名: 2,3-dihydroxypropoxy(2R)-3-(hexadecanoyloxy)-2-(octadec-9-enoyloxy)propoxyphosphinic acid amine
• 别名: (9Z)-9-Octadecenoic acid (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester monoammonium salt; 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol ammonium salt; 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1′-rac-glycerol) ammonium salt; L-α-Phosphatidyl-DL-glycerol, β-oleoyl-γ-palmitoyl ammonium salt; PG(16:0/18:1(9Z)); POPG-NH4; 2-Oleoyl-1-palmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) ammonium salt

登记号

• CAS号: 267228-70-6
• MDL号: MFCD07437834
• PubChem SID: 162248691
• PubChem CID: 71311898

理论计算性质

• Acid pKa: 1.8907738
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): 9.112453
• LogD (pH = 7.4): 9.088186
• Log P: 11.464267
• 摩尔折射率: 205.6275 cm^3
• 极化性: 82.05333 Å^3
• 极化表面积: 148.82 Å^2
• 可自由旋转的化学键: 41
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: chloroform: soluble20 mg/mL, clear, colorless

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: ≥97.0% (TLC)
• 生物来源: from synthetic
• Empirical Formula (Hill Notation): C40H80NO10P

详细说明

Sigma Aldrich - 76559

Application
POPG is widely used in studies as an ingredient in negatively charged synthetic lipid monolayers and bilayers.1