(2-aminoethoxy)[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid

• ChemBase编号: 133749
• 分子式: C37H74NO8P
• 平均质量: 691.959121
• 单一同位素质量: 691.51520496
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O
• InChI: InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
• InChIKey: SLKDGVPOSSLUAI-PGUFJCEWSA-N

名称和登记号

名称

• IUPAC标准名: (2-aminoethoxy)[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid
• IUPAC传统名: DPPE
• 别名: 1,2-Dihexadecanoyl-sn-glycero-3-phosphoethanolamine; 3-sn-Phosphatidylethanolamine, 1,2-dipalmitoyl; L-α-Phosphatidylethanolamine, dipalmitoyl; L-β,γ-Dipalmitoyl-α-cephalin; DPPE; Dipalmitoyl phosphatidylethanolamine; Hexadecanoic acid (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester; PE(16:0/16:0); 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine

登记号

• CAS号: 923-61-5
• EC号: 213-097-1
• MDL号: MFCD00036776
• Beilstein号: 1730601
• PubChem SID: 24898189; 162228026
• PubChem CID: 445468

理论计算性质

• Acid pKa: 1.8688003
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 10.450875
• LogD (pH = 7.4): 10.4499445
• Log P: 10.450915
• 摩尔折射率: 191.0039 cm^3
• 极化性: 77.04032 Å^3
• 极化表面积: 134.38 Å^2
• 可自由旋转的化学键: 39
• 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%; ≥99.0% (TLC)
• Empirical Formula (Hill Notation): C37H74NO8P

详细说明

Sigma Aldrich - P1348

Application
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine is used in model membrane 1.
Biochem/physiol Actions
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine is a phospholipid, a lipid component in cell membrane 2.

Sigma Aldrich - 42549

Application
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine is used in model membrane 1.
Biochem/physiol Actions
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine is a phospholipid, a lipid component in cell membrane 2.