ChemSpider 2D Image | (3beta,16alpha)-20-[(2S)-5-Methyl-2-piperidinyl]pregn-5-ene-3,16-diol | C27H45NO2

(3β,16α)-20-[(2S)-5-Methyl-2-piperidinyl]pregn-5-ene-3,16-diol

  • Molecular FormulaC27H45NO2
  • Average mass415.652 Da
  • Monoisotopic mass415.345032 Da
  • ChemSpider ID24823323

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,16α)-20-[(2S)-5-Methyl-2-piperidinyl]pregn-5-en-3,16-diol [German] [ACD/IUPAC Name]
(3β,16α)-20-[(2S)-5-Methyl-2-piperidinyl]pregn-5-ene-3,16-diol [ACD/IUPAC Name]
(3β,16α)-20-[(2S)-5-Méthyl-2-pipéridinyl]prégn-5-ène-3,16-diol [French] [ACD/IUPAC Name]
Pregn-5-ene-3,16-diol, 20-[(2S)-5-methyl-2-piperidinyl]-, (3β,16α)- [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: 544.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 59.0±17.9 °C
Index of Refraction: 1.564
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 7.78
ACD/KOC (pH 7.4): 25.36
Polar Surface Area: 52 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 378.6±5.0 cm3

Click to predict properties on the Chemicalize site


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