ChemSpider 2D Image | Ubiquinone 9 | C54H82O4

Ubiquinone 9

  • Molecular FormulaC54H82O4
  • Average mass795.227 Da
  • Monoisotopic mass794.621338 Da
  • ChemSpider ID4444118

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Ubiquinone 9
1900081 [Beilstein]
2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-benzoquinone [ACD/IUPAC Name]
2,3-Diméthoxy-5-méthyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonaméthyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaén-1-yl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]- [ACD/Index Name]
303-97-9 [RN]
Coenzyme Q9
DK4786000
MFCD00056635
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:18160 [DBID]
MGW7TYF2DQ [DBID]
27597_FLUKA [DBID]
BRN 1900081 [DBID]
C01967 [DBID]
EPA Pesticide Chemical Code 079011 [DBID]
LMPR02010004 [DBID]
NSC 226993 [DBID]
NSC226993 [DBID]
UNII:MGW7TYF2DQ [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 826.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 120.2±3.0 kJ/mol
    Flash Point: 314.4±34.3 °C
    Index of Refraction: 1.525
    Molar Refractivity: 249.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 28
    #Rule of 5 Violations: 2
    ACD/LogP: 18.89
    ACD/LogD (pH 5.5): 16.73
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 16.73
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 53 Å2
    Polarizability: 99.0±0.5 10-24cm3
    Surface Tension: 38.4±5.0 dyne/cm
    Molar Volume: 815.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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