ChemSpider 2D Image | Kadcotrione A | C30H44O6

Kadcotrione A

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID32742357

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2Z,6R)-9-[(9β,14α)-9-Hydroxy-12,14-dimethyl-3,13-dioxopodocarp-11-en-14-yl]-2,6-dimethyl-7-oxo-2-nonenoic acid [ACD/IUPAC Name]
(2Z,6R)-9-[(9β,14α)-9-Hydroxy-12,14-dimethyl-3,13-dioxopodocarp-11-en-14-yl]-2,6-dimethyl-7-oxo-2-nonensäure [German] [ACD/IUPAC Name]
2-Nonenoic acid, 9-[(1R,4aS,4bS,8aR,10aS)-1,2,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4a-hydroxy-1,3,4b,8,8-pentamethyl-2,7-dioxo-1-phenanthrenyl]-2,6-dimethyl-7-oxo-, (2Z,6R)- [ACD/Index Name]
Acide (2Z,6R)-9-[(9β,14α)-9-hydroxy-12,14-diméthyl-3,13-dioxopodocarp-11-én-14-yl]-2,6-diméthyl-7-oxo-2-nonénoïque [French] [ACD/IUPAC Name]
Kadcotrione A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 373.6±28.0 °C
Index of Refraction: 1.525
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 192.16
ACD/KOC (pH 5.5): 971.30
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 16.33
Polar Surface Area: 109 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 449.7±3.0 cm3

Click to predict properties on the Chemicalize site


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