ChemSpider 2D Image | O~15~-{(3beta,8xi,9xi,14xi,16beta)-16-[(2R)-6-Methyl-2-heptanyl]androst-5-en-3-yl}retinoic acid | C47H72O2

O15-{(3β,8ξ,9ξ,14ξ,16β)-16-[(2R)-6-Methyl-2-heptanyl]androst-5-en-3-yl}retinoic acid

  • Molecular FormulaC47H72O2
  • Average mass669.073 Da
  • Monoisotopic mass668.553223 Da
  • ChemSpider ID9939708

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

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

O15-{(3β,8ξ,9ξ,14ξ,16β)-16-[(2R)-6-Methyl-2-heptanyl]androst-5-en-3-yl}retinoic acid [ACD/IUPAC Name]
O15-{(3β,8ξ,9ξ,14ξ,16β)-16-[(2R)-6-Méthyl-2-heptanyl]androst-5-én-3-yl}rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-[(3β,8ξ,9ξ,14ξ,16β)-16-[(1R)-1,5-dimethylhexyl]androst-5-en-3-yl]- [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: 709.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 293.6±24.5 °C
Index of Refraction: 1.542
Molar Refractivity: 209.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 17.88
ACD/LogD (pH 5.5): 16.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 665.9±5.0 cm3

Click to predict properties on the Chemicalize site


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