(2-{[2,3-bis(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase编号: 102074
• 分子式: C36H72NO8P
• 平均质量: 677.932541
• 单一同位素质量: 677.4995549
• SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3
• InChIKey: CITHEXJVPOWHKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{[2,3-bis(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC传统名: Cho
• 别名: 1,2-Ditetradecanoyl-rac-glycerol-3-phosphocholine; rac-Phosphatidylcholine, 1,2-dimyristoyl; DL-α-Dimyristoyl-phosphatidylcholine; DL-β,γ-Dimyristoyl-α-lecithin; 1,2-Dimyristoyl-rac-glycero-3-phosphocholine; 1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine; 3-sn-Phosphatidylcholine, 1,2-dimyristoyl; 1,2-Dimyristoyl-sn-glycero-3-phosphocholine; β-γ-DIMYRISTOYL-L-α-LECITHIN

登记号

• CAS号: 18194-24-6; 18656-38-7
• EC号: 242-085-9; 242-481-1
• MDL号: MFCD00066562
• Beilstein号: 1917934
• PubChem SID: 162089268; 24898894
• PubChem CID: 26197

理论计算性质

• Acid pKa: 1.8550572
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 8.359026
• LogD (pH = 7.4): 8.359121
• Log P: 6.3355217
• 摩尔折射率: 197.4611 cm^3
• 极化性: 75.031044 Å^3
• 极化表面积: 111.19 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

• 保存条件: 0°C
• 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: ~99%; ≥99%; ≥99.0% (TLC)
• Empirical Formula (Hill Notation): C36H72NO8P

详细说明

MP Biomedicals - 02100059

Synthetic
Purity: ~99%