Found 12 results

Search term: MF = 'C_{33}H_{47}NO_{2}'
ChemSpider 2D Image | 2-[(3alpha,5beta,6alpha,7alpha,17alpha,23E)-6-Ethyl-3,7-dihydroxychol-23-en-24-yl]benzonitrile | C33H47NO2

2-[(3α,5β,6α,7α,17α,23E)-6-Ethyl-3,7-dihydroxychol-23-en-24-yl]benzonitrile

  • Molecular FormulaC33H47NO2
  • Average mass489.732 Da
  • Monoisotopic mass489.360687 Da
  • ChemSpider ID129091605

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2-[(3α,5β,6α,7α,17α,23E)-6-Ethyl-3,7-dihydroxychol-23-en-24-yl]benzonitril [German] [ACD/IUPAC Name]
2-[(3α,5β,6α,7α,17α,23E)-6-Ethyl-3,7-dihydroxychol-23-en-24-yl]benzonitrile [ACD/IUPAC Name]
2-[(3α,5β,6α,7α,17α,23E)-6-Éthyl-3,7-dihydroxychol-23-én-24-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(3α,5β,6α,7α,17α,23E)-6-ethyl-3,7-dihydroxychol-23-en-24-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 630.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.3±27.3 °C
Index of Refraction: 1.577
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 174397.95
ACD/KOC (pH 5.5): 196549.44
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 174397.95
ACD/KOC (pH 7.4): 196549.44
Polar Surface Area: 64 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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