ChemSpider 2D Image | 4-Carbamimidoylphenyl (3beta,17alpha,20S)-cholest-5-en-3-yl carbonate | C35H52N2O3

4-Carbamimidoylphenyl (3β,17α,20S)-cholest-5-en-3-yl carbonate

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID8048825

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

4-Carbamimidoylphenyl (3β,17α,20S)-cholest-5-en-3-yl carbonate [ACD/IUPAC Name]
4-Carbamimidoylphenyl-(3β,17α,20S)-cholest-5-en-3-ylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 4-carbamimidoylphényle et de (3β,17α,20S)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbonic acid, 4-[(Z)-aminoiminomethyl]phenyl (3β,17α,20S)-cholest-5-en-3-yl ester [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: 631.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.77
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 47091.67
ACD/KOC (pH 5.5): 20800.73
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 47814.25
ACD/KOC (pH 7.4): 21119.90
Polar Surface Area: 85 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 462.8±7.0 cm3

Click to predict properties on the Chemicalize site


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