ChemSpider 2D Image | (1S,2R,3S,4S)-5-Cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazole-1,2,4-triyl triacetate | C24H20N2O10

(1S,2R,3S,4S)-5-Cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazole-1,2,4-triyl triacetate

  • Molecular FormulaC24H20N2O10
  • Average mass496.423 Da
  • Monoisotopic mass496.111786 Da
  • ChemSpider ID62424904

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,3S,4S)-5-Cyan-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazol-1,2,4-triyl-triacetat [German] [ACD/IUPAC Name]
(1S,2R,3S,4S)-5-Cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazole-1,2,4-triyl triacetate [ACD/IUPAC Name]
5H-Benzo[b]carbazole-5-carbonitrile, 1,2,4-tris(acetyloxy)-1,2,3,4,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-, (1S,2R,3S,4S)- [ACD/Index Name]
Triacétate de (1S,2R,3S,4S)-5-cyano-3,7-dihydroxy-3-méthyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazole-1,2,4-triyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 715.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.4±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 24.82
ACD/KOC (pH 5.5): 334.09
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 31.76
Polar Surface Area: 182 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


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