ChemSpider 2D Image | (3alpha,5alpha)-N-[(2R,3R)-3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl]-3-hydroxycholan-24-amide | C33H46Cl2N2O3

(3α,5α)-N-[(2R,3R)-3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl]-3-hydroxycholan-24-amide

  • Molecular FormulaC33H46Cl2N2O3
  • Average mass589.636 Da
  • Monoisotopic mass588.288574 Da
  • ChemSpider ID8275460

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5α)-N-[(2R,3R)-3-Chlor-2-(4-chlorphenyl)-4-oxo-1-azetidinyl]-3-hydroxycholan-24-amid [German] [ACD/IUPAC Name]
(3α,5α)-N-[(2R,3R)-3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl]-3-hydroxycholan-24-amide [ACD/IUPAC Name]
(3α,5α)-N-[(2R,3R)-3-Chloro-2-(4-chlorophényl)-4-oxo-1-azétidinyl]-3-hydroxycholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, N-[(2R,3R)-3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl]-3-hydroxy-, (3α,5α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 59330.34
ACD/KOC (pH 5.5): 90842.81
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 59256.32
ACD/KOC (pH 7.4): 90729.48
Polar Surface Area: 70 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 468.4±5.0 cm3

Click to predict properties on the Chemicalize site


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