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

• ChemBase编号: 154517
• 分子式: C38H78NO10P
• 平均质量: 740.000381
• 单一同位素质量: 739.53633433
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC(CO)O)[O-].[NH4+]
• InChI: InChI=1S/C38H75O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);1H3/t35?,36-;/m1./s1
• InChIKey: KSVUSCAQEBSOIJ-ODZMYOIVSA-N

名称和登记号

名称

• IUPAC标准名: ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
• IUPAC传统名: ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
• 别名: 1,2-Dihexadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) ammonium salt; 1,2-Dipalmitoyl-sn-glycero-3-phosphoglycerol; DPPG-NH4; L-α-Phosphatidyl-DL-glycerol, dipalmitoyl ammonium salt; PG(16:0/16:0); 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) ammonium salt

登记号

• CAS号: 1373168-73-0
• PubChem SID: 162248656
• PubChem CID: 71311888

理论计算性质

• Acid pKa: 1.8907738
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 8.5852375
• LogD (pH = 7.4): 8.560971
• Log P: 10.937052
• 摩尔折射率: 194.1872 cm^3
• 极化性: 78.51183 Å^3
• 极化表面积: 151.65 Å^2
• 可自由旋转的化学键: 40
• 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: ≥96.0% (TLC)
• 生物来源: from synthetic
• 线性分子式: C38H75O10P · NH3

详细说明

Sigma Aldrich - 42627

Biochem/physiol Actions
One of several phospholipids that serves as surfactant on lung alveolar membranes. Incorporated in small unilamellar vesicles, DPPG specifically (not other phospholipids tested) provides protection against infection by vaccinia virus.1