ChemSpider 2D Image | (3beta,5alpha,17beta)-17-Acetamidoandrostan-3-yl 4-[bis(2-chloroethyl)amino]benzoate | C32H46Cl2N2O3

(3β,5α,17β)-17-Acetamidoandrostan-3-yl 4-[bis(2-chloroethyl)amino]benzoate

  • Molecular FormulaC32H46Cl2N2O3
  • Average mass577.625 Da
  • Monoisotopic mass576.288574 Da
  • ChemSpider ID8921077

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,17β)-17-Acetamidoandrostan-3-yl 4-[bis(2-chloroethyl)amino]benzoate [ACD/IUPAC Name]
(3β,5α,17β)-17-Acetamidoandrostan-3-yl-4-[bis(2-chlorethyl)amino]benzoat [German] [ACD/IUPAC Name]
4-[Bis(2-chloroéthyl)amino]benzoate de (3β,5α,17β)-17-acétamidoandrostan-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[bis(2-chloroethyl)amino]-, (3β,5α,17β)-17-(acetylamino)androstan-3-yl ester [ACD/Index 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: 706.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 135878.16
ACD/KOC (pH 5.5): 164388.83
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 135892.92
ACD/KOC (pH 7.4): 164406.69
Polar Surface Area: 59 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 478.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement