ChemSpider 2D Image | 1-[(7alpha,16alpha,19E)-17-Hydroxycur-19-en-1-yl]ethanone | C21H26N2O2

1-[(7α,16α,19E)-17-Hydroxycur-19-en-1-yl]ethanone

  • Molecular FormulaC21H26N2O2
  • Average mass338.443 Da
  • Monoisotopic mass338.199432 Da
  • ChemSpider ID88298303

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[(7α,16α,19E)-17-Hydroxycur-19-en-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(7α,16α,19E)-17-Hydroxycur-19-en-1-yl]ethanone [ACD/IUPAC Name]
1-[(7α,16α,19E)-17-Hydroxycur-19-én-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(7α,16α,19E)-17-hydroxycur-19-en-1-yl]- [ACD/Index Name]
2616-16-2 [RN]
Retuline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 40.96
Polar Surface Area: 44 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 263.1±5.0 cm3

Click to predict properties on the Chemicalize site


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