ChemSpider 2D Image | (3alpha,9beta,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl acetate | C23H35NO3

(3α,9β,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl acetate

  • Molecular FormulaC23H35NO3
  • Average mass373.529 Da
  • Monoisotopic mass373.261688 Da
  • ChemSpider ID62286058

  • 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

(3α,9β,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3α,9β,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,9β,10α,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,9β,10α,20Z)-20-(Hydroxyimino)pregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,9β,20Z)-20-(hydroxyimino)prégn-5-én-3-yle [French] [ACD/IUPAC Name]
Acétate de (3β,9β,10α,20Z)-20-(hydroxyimino)prégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-(acetyloxy)-, oxime, (3α,9β,20Z)- [ACD/Index Name]
Pregn-5-en-20-one, 3-(acetyloxy)-, oxime, (3β,9β,10α,20Z)- [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: 494.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 252.7±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7940.38
ACD/KOC (pH 5.5): 21532.63
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7940.17
ACD/KOC (pH 7.4): 21532.03
Polar Surface Area: 59 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

Click to predict properties on the Chemicalize site


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