ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(tetradecanoyloxy)propan-2-yl tetradecanoate

• ChemBase编号: 154518
• 分子式: C34H70NO10P
• 平均质量: 683.894061
• 单一同位素质量: 683.47373408
• SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCC.[NH4+]
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC(CO)O)[O-].[NH4+]
• InChI: InChI=1S/C34H67O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-32,35-36H,3-30H2,1-2H3,(H,39,40);1H3/t31?,32-;/m1./s1
• InChIKey: XDGIUHZTOUFLGK-SKZICHJRSA-N

名称和登记号

名称

• IUPAC标准名: ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(tetradecanoyloxy)propan-2-yl tetradecanoate
• IUPAC传统名: ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(tetradecanoyloxy)propan-2-yl tetradecanoate
• 别名: 1,2-Dimyristoyl-sn-glycero-3-phosphoglycerol ammonium salt; 1,2-Ditetradecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) ammonium salt; L-α-Phosphatidyl-DL-glycerol, dimyristoyl ammonium salt; DMPG-NH4; PG(14:0/14:0); Tetradecanoic acid 1,1′-[(1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester monoammonium salt; 1,2-Dimyristoyl-sn-glycero-3-phospho-rac-(1-glycerol) ammonium salt

登记号

• CAS号: 953758-30-0
• PubChem SID: 162248657
• PubChem CID: 71311889

理论计算性质

• Acid pKa: 1.8907738
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 6.806963
• LogD (pH = 7.4): 6.7826962
• Log P: 9.158777
• 摩尔折射率: 175.7832 cm^3
• 极化性: 71.16826 Å^3
• 极化表面积: 151.65 Å^2
• 可自由旋转的化学键: 36
• 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: ≥97.0% (TLC)
• 生物来源: from synthetic
• Empirical Formula (Hill Notation): C34H70NO10P

详细说明

Sigma Aldrich - 43096

Application
Has been used as the neutral lipid in studies of highly defined mixed-lipid liposome encapsulated drugs, e.g., a platinum complex antitumor agent,1 the antifungal agent hamycin,2 and Candida albicans ribosomes as an anti-Candida vaccine.3