ChemSpider 2D Image | (3E)-3-({[(2S)-2-Amino-3-methylbutanoyl]oxy}imino)pregn-4-en-20-one | C26H40N2O3

(3E)-3-({[(2S)-2-Amino-3-methylbutanoyl]oxy}imino)pregn-4-en-20-one

  • Molecular FormulaC26H40N2O3
  • Average mass428.607 Da
  • Monoisotopic mass428.303894 Da
  • ChemSpider ID25052147
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3E)-3-({[(2S)-2-Amino-3-methylbutanoyl]oxy}imino)pregn-4-en-20-on [German] [ACD/IUPAC Name]
(3E)-3-({[(2S)-2-Amino-3-methylbutanoyl]oxy}imino)pregn-4-en-20-one [ACD/IUPAC Name]
(3E)-3-({[(2S)-2-Amino-3-méthylbutanoyl]oxy}imino)prégn-4-én-20-one [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 3-[O-[(2S)-2-amino-3-methyl-1-oxobutyl]oxime], (3E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 538.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 23.21
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 246.21
ACD/KOC (pH 7.4): 1179.93
Polar Surface Area: 82 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 345.7±7.0 cm3

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