ChemSpider 2D Image | 17-{(Z)-Hydroxy[(2-methyl-2-propanyl)imino]methyl}estra-1(10),2,4-triene-3-carboxylic acid | C24H33NO3

17-{(Z)-Hydroxy[(2-methyl-2-propanyl)imino]methyl}estra-1(10),2,4-triene-3-carboxylic acid

  • Molecular FormulaC24H33NO3
  • Average mass383.524 Da
  • Monoisotopic mass383.246033 Da
  • ChemSpider ID58818962

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

17-{(Z)-Hydroxy[(2-methyl-2-propanyl)imino]methyl}estra-1(10),2,4-trien-3-carbonsäure [German] [ACD/IUPAC Name]
17-{(Z)-Hydroxy[(2-methyl-2-propanyl)imino]methyl}estra-1(10),2,4-triene-3-carboxylic acid [ACD/IUPAC Name]
Acide 17-{(Z)-hydroxy[(2-méthyl-2-propanyl)imino]méthyl}estra-1(10),2,4-triène-3-carboxylique [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3-carboxylic acid, 17-[(Z)-[(1,1-dimethylethyl)imino]hydroxymethyl]- [ACD/Index Name]
124651-01-0 [RN]
17-(N-TERT-BUTYLCARBOXAMIDE)ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.7±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 43.02
ACD/KOC (pH 5.5): 107.81
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 4.12
ACD/KOC (pH 7.4): 10.33
Polar Surface Area: 70 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 308.5±7.0 cm3

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