(2-{[(2R)-3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase编号: 156139
• 分子式: C42H80NO8P
• 平均质量: 758.060261
• 单一同位素质量: 757.56215516
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/t40-/m1/s1
• InChIKey: JLPULHDHAOZNQI-RRHRGVEJSA-N

名称和登记号

名称

• IUPAC标准名: (2-{[(2R)-3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC传统名: (2-{[(2R)-3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• 别名: 1,2-二酰基-sn-甘油-3-磷酸胆碱; 3-sn-磷脂酰胆碱; L-α-卵磷脂; L-α-磷脂酰胆碱 溶液; 1,2-Diacyl-sn-glycero-3-phosphocholine; 3-sn-Phosphatidylcholine; L-α-Lecithin; L-α-Phosphatidylcholine solution

登记号

• CAS号: 8002-43-5
• MDL号: MFCD00082428
• Beilstein号: 5209585
• PubChem SID: 24874850; 24874853; 162250277
• PubChem CID: 16213884

理论计算性质

• Acid pKa: 1.8550572
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 10.302594
• LogD (pH = 7.4): 10.3026905
• Log P: 8.27909
• 摩尔折射率: 227.3003 cm^3
• 极化性: 85.58359 Å^3
• 极化表面积: 111.19 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

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1888
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-38-40-48/20/22
• 安全公开号: 36/37
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H351-H373
• GHS警示性声明: P281-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1888 6.1/PG 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99.0% (TLC)
• 浓度: ≥99.0% in chloroform (TLC, 100 mg/ml); 10% in chloroform
• 主要成分: 16:0, ~14% (fatty acid); 16:0, ~33% (fatty acid); 18:0, ~14% (fatty acid); 18:0, ~4% (fatty acid); 18:1, ~12% (fatty acid); 18:1, ~30% (fatty acid); 18:2, ~14% (fatty acid); 18:2, ~65% (fatty acid); 18:3, ~5% (fatty acid); 20:4, ~4% (fatty acid)
• 生物来源: from fresh egg yolk; from soybean

详细说明

Sigma Aldrich - 61752

Biochem/physiol Actions
Phosphatidyl cholines are the most abundant phospholipids in cell membranes. Phosphatidyl cholines also represent a large proportion of the body′s choline store1.

Sigma Aldrich - 61757

Other Notes
Culture medium component for the prolonged in vitro maintenance of human bone marrow progenitor cells2
Biochem/physiol Actions
Phosphatidyl cholines are the most abundant phospholipids in cell membranes. Phosphatidyl cholines also represent a large proportion of the body′s choline store1.