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 ID: 164889
• Molecular Formular: C24H34O4
• Molecular Mass: 386.52436
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: (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

Database IDs

• PubChem SID: 162259023
• PubChem CID: 71314940

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5381284
• LogD (pH = 7.4): 5.5381284
• Log P: 5.5381284
• Molar Refractivity: 119.987 cm^3
• Polarizability: 44.53173 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - C636502

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

REFERENCES

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