ChemSpider 2D Image | (17beta)-17-[(2-Methyl-2-propanyl)carbamoyl](2,4-~3~H_2_)estra-1,3,5(10)-triene-3-carboxylic acid | C24H31T2NO3

(17β)-17-[(2-Methyl-2-propanyl)carbamoyl](2,4-3H2)estra-1,3,5(10)-triene-3-carboxylic acid

  • Molecular FormulaC24H31T2NO3
  • Average mass387.540 Da
  • Monoisotopic mass387.262482 Da
  • ChemSpider ID9915639

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-[(2-Methyl-2-propanyl)carbamoyl](2,4-3H2)estra-1,3,5(10)-trien-3-carbonsäure [German] [ACD/IUPAC Name]
(17β)-17-[(2-Methyl-2-propanyl)carbamoyl](2,4-3H2)estra-1,3,5(10)-triene-3-carboxylic acid [ACD/IUPAC Name]
Acide (17β)-17-[(2-méthyl-2-propanyl)carbamoyl](2,4-3H2)estra-1,3,5(10)-triène-3-carboxylique [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-2,4-t2-3-carboxylic acid, 17-[[(1,1-dimethylethyl)amino]carbonyl]-, (17β)- [ACD/Index Name]

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

Density:
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 272.13
ACD/KOC (pH 5.5): 924.83
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 21.09
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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