ChemSpider 2D Image | difuro[2,3-b:3',2'-g]quinolin-4(2H)-one, 3,10-dihydro-5,10-dimethoxy-2,2,3-trimethyl-10-(3-methyl-2-buten-1-yl)-, (3S,10S)- | C23H27NO5

difuro[2,3-b:3',2'-g]quinolin-4(2H)-one, 3,10-dihydro-5,10-dimethoxy-2,2,3-trimethyl-10-(3-methyl-2-buten-1-yl)-, (3S,10S)-

  • Molecular FormulaC23H27NO5
  • Average mass397.464 Da
  • Monoisotopic mass397.188934 Da
  • ChemSpider ID21431207

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

difuro[2,3-b:3',2'-g]quinolin-4(2H)-one, 3,10-dihydro-5,10-dimethoxy-2,2,3-trimethyl-10-(3-methyl-2-buten-1-yl)-, (3S,10S)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.2±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2530.76
ACD/KOC (pH 5.5): 9354.82
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2668.07
ACD/KOC (pH 7.4): 9862.40
Polar Surface Area: 71 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 324.4±5.0 cm3

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