5-iodo-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene

• ChemBase编号: 83680
• 分子式: C27H45I
• 平均质量: 496.55067
• 单一同位素质量: 496.25659944
• SMILES: IC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(CCCC(C)C)C)C)C
• Canonical SMILES: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)I)C)C
• InChI: InChI=1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3
• InChIKey: PMVJGSYGUZXDAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-iodo-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene
• IUPAC传统名: 5-iodo-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene
• 别名: 17-(1,5-dimethylhexyl)-3-iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene; CHOLESTERYL IODIDE

登记号

• CAS号: 2930-80-5
• EC号: 220-900-9
• MDL号: MFCD00178636
• PubChem SID: 162070797
• PubChem CID: 2780726

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.979476
• LogD (pH = 7.4): 8.979476
• Log P: 8.979476
• 摩尔折射率: 131.9489 cm^3
• 极化性: 52.0388 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)

详细说明

MP Biomedicals - 02100446

Crystalline