ChemSpider 2D Image | (3beta,8alpha,9beta,10alpha,12beta,13alpha,14beta,17beta,20beta,22beta,25alpha)-Cev-5-ene-3,20-diol | C27H43NO2

(3β,8α,9β,10α,12β,13α,14β,17β,20β,22β,25α)-Cev-5-ene-3,20-diol

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID113598330

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,8α,9β,10α,12β,13α,14β,17β,20β,22β,25α)-Cev-5-en-3,20-diol [German] [ACD/IUPAC Name]
(3β,8α,9β,10α,12β,13α,14β,17β,20β,22β,25α)-Cev-5-ene-3,20-diol [ACD/IUPAC Name]
(3β,8α,9β,10α,12β,13α,14β,17β,20β,22β,25α)-Cév-5-ène-3,20-diol [French] [ACD/IUPAC Name]
Cev-5-ene-3,20-diol, (3β,8α,9β,10α,12β,13α,14β,17β,20β,22β,25α)- [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: 545.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 258.9±28.8 °C
Index of Refraction: 1.591
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 10.09
ACD/KOC (pH 5.5): 24.06
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 23.80
ACD/KOC (pH 7.4): 56.77
Polar Surface Area: 44 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 358.7±5.0 cm3

Click to predict properties on the Chemicalize site


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