2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 131317
• 分子式: C54H82O4
• 平均质量: 795.22648
• 单一同位素质量: 794.6213111
• SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• Canonical SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)C
• InChI: InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+
• InChIKey: UUGXJSBPSRROMU-WJNLUYJISA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione; 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: ubiquinone 9; 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione
• 别名: Q-9; Ubiquinone-45; Ubiquinone-9; Coenzyme Q9 from Candida utilis; Coenzyme Q9

登记号

• CAS号: 303-97-9
• MDL号: MFCD00056635
• Beilstein号: 1900081
• PubChem SID: 162225595; 24856685
• PubChem CID: 5280473

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 15.496414
• LogD (pH = 7.4): 15.496414
• Log P: 15.496414
• 摩尔折射率: 262.8026 cm^3
• 极化性: 98.49532 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 28
• 里宾斯基五规则: false

分子性质

安全信息

• RTECS编号: DK4786000
• 德国WGK号: 2
• 安全公开号: 22-24/25
• 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: ≥96.0% (HPLC)
• Empirical Formula (Hill Notation): C54H82O4

详细说明

Sigma Aldrich - 27597

Other Notes
An efficient electron and proton translocator in liposome systems;1 Prevents the appearance of adriamycin®-associated cardiotoxic phenomena in mice and rabbits.2
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 27597.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Application
Coenzyme Q9 (Ubiquinone-9; Ubi-9) is a 9 isoprenyl group member of a family of ubiquinones that share a quinine chemical group but differ in the number of isoprenyl chemical subunits in their tail. The CoQ compounds are lipid soluble components of cell membranes where they perform multiple functions, such as electron and proton transport. The most well studied CoQ compound is CoQ10. CoQ9 performs similar functions to CoQ10 as the native CoQ in Caenorhabditis elegans. CoQ9 as well as other CoQ molecules may have an impact on cell life-span and these molecules are seeing increase usage in such studies.
法律信息
Adriamycin is a registered trademark of RDF Pharmacia & Upjohn S.P.A.

Sigma Aldrich - C9888

Biochem/physiol Actions
Antioxidant; component of mitochondrial membrane.
包装
Sealed ampule.