ChemSpider 2D Image | 2-[(3alpha,5alpha,17Z)-Pregn-17-en-3-yl]-1H-isoindole-1,3(2H)-dione | C29H37NO2

2-[(3α,5α,17Z)-Pregn-17-en-3-yl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC29H37NO2
  • Average mass431.610 Da
  • Monoisotopic mass431.282440 Da
  • ChemSpider ID30656871

  • 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

1H-Isoindole-1,3(2H)-dione, 2-[(3α,5α,17Z)-pregn-17-en-3-yl]- [ACD/Index Name]
2-[(3α,5α,17Z)-Pregn-17-en-3-yl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(3α,5α,17Z)-Pregn-17-en-3-yl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(3α,5α,17Z)-Prégn-17-én-3-yl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 205.8±22.5 °C
Index of Refraction: 1.615
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 336052.22
ACD/KOC (pH 5.5): 314322.50
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 336052.22
ACD/KOC (pH 7.4): 314322.50
Polar Surface Area: 37 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 367.6±3.0 cm3

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