2,3-bis(2H3)methoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 164889
• 分子式: C24H34O4
• 平均质量: 386.52436
• 单一同位素质量: 386.24570957
• SMILES: C1(=C(C(=O)C(=C(C1=O)C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC)OC
• Canonical SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
• InChI: InChI=1S/C24H34O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+
• InChIKey: XREILSQAXUAAHP-NXGXIAAHSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-bis(^2H₃)methoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: 2,3-bis(^2H₃)methoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
• 别名: (all-E)-2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-(dimethoxy-d6)-3-methyl-2,5-cyclohexadiene-1,4-dione; Bio-Quinone Q10-d6; CoQ10-d6; Cosmesome Q 10-d6; Ensorb-d6; Kaneka Q10-d6; Kudesan-d6; Li-Q-Sorb-d6; Liquid-Q-d6; NSC 140865-d6; Neuquinon-d6; Neuquinone-d6; Q-Gel-d6; Q-Gel 100-d6; Ubidecarenone-d6; Ubiquinone 10-d6; Ubiquinone Q10-d6; Unispheres Q 10-d6; Vitamin Q-d6; Coenzyme Q10-d6

登记号

• PubChem SID: 162259023
• PubChem CID: 71314940

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.5381284
• LogD (pH = 7.4): 5.5381284
• Log P: 5.5381284
• 摩尔折射率: 119.987 cm^3
• 极化性: 44.53173 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - C636502

Labelled Coenzyme Q10 (C636501). Antibacterial and antioxidant for preventing and treating cancer.

参考文献

• Trumpower, B.L., et al.: J. Bioenerget. Biomembr., 13, 1 (1981)
• Inatsu, S., et al.: Antimicrob. Agents Chemother., 50, 2237 (1981)