ChemSpider 2D Image | O~15~-{[(3beta)-Cholest-5-en-3-yloxy]carbonyl}retinol | C48H74O3

O15-{[(3β)-Cholest-5-en-3-yloxy]carbonyl}retinol

  • Molecular FormulaC48H74O3
  • Average mass699.099 Da
  • Monoisotopic mass698.563782 Da
  • ChemSpider ID8050576

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

O15-{[(3β)-Cholest-5-en-3-yloxy]carbonyl}retinol [ACD/IUPAC Name]
O15-{[(3β)-Cholest-5-en-3-yloxy]carbonyl}retinol [German] [ACD/IUPAC Name]
O15-{[(3β)-Cholest-5-én-3-yloxy]carbonyl}rétinol [French] [ACD/IUPAC Name]
Retinol, O15-[[(3β)-cholest-5-en-3-yloxy]carbonyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 164.7±21.4 °C
Index of Refraction: 1.540
Molar Refractivity: 215.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 18.24
ACD/LogD (pH 5.5): 16.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 687.8±5.0 cm3

Click to predict properties on the Chemicalize site


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