ChemSpider 2D Image | aflaquinolone A | C26H29NO5

aflaquinolone A

  • Molecular FormulaC26H29NO5
  • Average mass435.512 Da
  • Monoisotopic mass435.204559 Da
  • ChemSpider ID28289780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S)-6-{(E)-2-[(1R,3S)-1,3-Dimethyl-4-oxocyclohexyl]vinyl}-4,5-dihydroxy-3-methoxy-4-phenyl-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
(3S,4S)-6-{(E)-2-[(1R,3S)-1,3-Diméthyl-4-oxocyclohexyl]vinyl}-4,5-dihydroxy-3-méthoxy-4-phényl-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
(3S,4S)-6-{(E)-2-[(1R,3S)-1,3-Dimethyl-4-oxocyclohexyl]vinyl}-4,5-dihydroxy-3-methoxy-4-phenyl-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
2(1H)-Quinolinone, 6-[(E)-2-[(1R,3S)-1,3-dimethyl-4-oxocyclohexyl]ethenyl]-3,4-dihydro-4,5-dihydroxy-3-methoxy-4-phenyl-, (3S,4S)- [ACD/Index Name]
aflaquinolone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.29
ACD/KOC (pH 5.5): 1622.16
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 207.67
ACD/KOC (pH 7.4): 1572.00
Polar Surface Area: 96 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 336.7±5.0 cm3

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