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

• ChemBase编号: 134342
• 分子式: C38H74NaO10P
• 平均质量: 744.951691
• 单一同位素质量: 744.49172948
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC(CO)O)[O-].[Na+]
• InChI: InChI=1S/C38H75O10P.Na/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);/q;+1/p-1/t35?,36-;/m1./s1
• InChIKey: LDWIWSHBGAIIMV-ODZMYOIVSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
• IUPAC传统名: sodium (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) sodium salt; L-α-Phosphatidyl-DL-glycerol, dipalmitoyl; DPPG-Na; Hexadecanoic acid 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester; PG(16:0/16:0); 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt

登记号

• CAS号: 67232-81-9
• MDL号: MFCD00070068
• PubChem SID: 24898920; 162228618
• PubChem CID: 46891827

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); ≥99% (TLC)
• 生物来源: from synthetic
• 线性分子式: C38H74O10PNa

详细说明

Sigma Aldrich - P9789

General description
Forms classical lipid bilayers. At low temperature, however, an unusual and much thinner bilayer forms where the hydrocarbon chains are interdigitated.1
Other Notes
PG(16:0/16:0)

Sigma Aldrich - 50984

General description
Forms classical lipid bilayers. At low temperature, however, an unusual and much thinner bilayer forms where the hydrocarbon chains are interdigitated.1
Other Notes
PG(16:0/16:0)