sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

• ChemBase编号: 154556
• 分子式: C42H78NaO10P
• 平均质量: 797.026251
• 单一同位素质量: 796.52302961
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Na+]
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(OCC(CO)O)[O-].[Na+]
• InChI: InChI=1S/C42H79O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/t39?,40-;/m1./s1
• InChIKey: IUVFCFQZFCOKRC-QTOMIGAPSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate
• IUPAC传统名: sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate
• 别名: 二油酰基-L-α-磷脂酰基-DL-甘油 钠盐; 二油酰基-L-α-磷脂酰基-DL-甘油; 1,2-二油酰基-sn-甘油-3-磷酰-rac-(1-甘油) 钠盐; (9Z)-9-Octadecenoic acid 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester monosodium salt; 1,2-Di(9Z-octadecenoyl)-sn-glycero-3-phospho-(1′-rac-glycerol) sodium salt; DOPG-Na; PG(18:1(9Z)/18:1(9Z)); L-α-Phosphatidyl-DL-glycerol, dioleoyl sodium salt; L-α-Phosphatidyl-DL-glycerol, dioleoyl; 1,2-Dioleoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt

登记号

• CAS号: 67254-28-8
• PubChem SID: 162248694
• PubChem CID: 46891830

理论计算性质

• Acid pKa: 1.8907738
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 9.639669
• LogD (pH = 7.4): 9.615402
• Log P: 11.991483
• 摩尔折射率: 214.8244 cm^3
• 极化性: 85.37448 Å^3
• 极化表面积: 151.65 Å^2
• 可自由旋转的化学键: 42
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >200 °C; >392 °F

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: ≥98.0% (TLC)
• 生物来源: from synthetic
• 线性分子式: C42H78O10PNa

详细说明

Sigma Aldrich - 74384

General description
The lipid DOPG has significant influence on multidrug transport. The DOPG membrane content can alter substrate transport of small multidrug transporters (SMR) proteins by an order of magnitude.2
Other Notes
PG(18:1(9Z)/18:1(9Z))
Biochem/physiol Actions
Remodeling of diacylphosphatidylglycerols by transesterification was studied in a phosphatidylglycerol-deficient microbe grown with exogenous DOPG.1