calcium chloride 2-(trimethylazaniumyl)ethyl phosphate

• ChemBase编号: 110871
• 分子式: C5H13CaClNO4P
• 平均质量: 257.665781
• 单一同位素质量: 256.98966319
• SMILES: [Cl-].[Ca+2].C[N+](C)(C)CCOP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OCC[N+](C)(C)C)[O-].[Cl-].[Ca+2]
• InChI: InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2
• InChIKey: ICVPTJCCKTXCDT-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: calcium chloride 2-(trimethylazaniumyl)ethyl phosphate
• IUPAC传统名: calcium chloride choline phosphate; calcium(2+) chloride choline phosphate
• 别名: N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium Chloride Calcium Salt Tetrahydrate; Biocalcose Tetrahydrate; Calcium Phosphorylcholine Tetrahydrate; Calcium phosphorylcholine Chloride Tetrahydrate; Colifos Tetrahydrate; Colincalcium Tetrahydrate; Epafosforil Tetrahydrate; Fosfocolina Tetrahydrate; Ipercolin Tetrahydrate; Isocolin Tetrahydrate; Mebophos Tetrahydrate; Merival Tetrahydrate; Pancholin Tetrahydrate; Phoscholin Tetrahydrate; Phosphocholine Chloride Calcium Salt Tetrahydrate; PHOSPHORYL CHOLINE CHLORIDE

登记号

• CAS号: 72556-74-2
• PubChem SID: 162096184
• PubChem CID: 20968

理论计算性质

• Acid pKa: 1.1498435
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.8443494
• LogD (pH = 7.4): -3.9787655
• Log P: -4.7858353
• 摩尔折射率: 50.8235 cm^3
• 极化性: 16.22871 Å^3
• 极化表面积: 72.42 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05216721

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - P354500

Phosphocholine Chloride is a specific promoter of heparin and serum β-lipoprotein interaction. Phosphocholine Chloride protected the membranes of platelets, erythrocytes, and lysosomes against the labilizing action of various known membrane labilizers.

参考文献

• Mookerjea, S. et al.: Biochem. Res. Biophys. Res. Comm., 53, 580 (1973)
• Caputi, A.P. et al.: Boll. Chim. Farmac., 117, 553 (1978):