ChemSpider 2D Image | (7E,8xi,9xi,10xi,13xi,14xi,17xi)-7-(Hydroxyimino)cholest-5-en-3-yl acetate | C29H47NO3

(7E,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-7-(Hydroxyimino)cholest-5-en-3-yl acetate

  • Molecular FormulaC29H47NO3
  • Average mass457.688 Da
  • Monoisotopic mass457.355591 Da
  • ChemSpider ID22889603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(7E,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-7-(Hydroxyimino)cholest-5-en-3-yl acetate [ACD/IUPAC Name]
(7E,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-7-(Hydroxyimino)cholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (7E,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-7-(hydroxyimino)cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-7-one, 3-(acetyloxy)-, oξme, (7E,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 288.1±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 667397.69
ACD/KOC (pH 5.5): 513647.00
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 667372.00
ACD/KOC (pH 7.4): 513627.25
Polar Surface Area: 59 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 396.2±7.0 cm3

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