ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20R)-3-(Methylamino)pregn-5-ene-18,20-diol | C22H37NO2

(3α,8α,9β,10α,13α,14β,17α,20R)-3-(Methylamino)pregn-5-ene-18,20-diol

  • Molecular FormulaC22H37NO2
  • Average mass347.535 Da
  • Monoisotopic mass347.282440 Da
  • ChemSpider ID78076649

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,17α,20R)-3-(Methylamino)pregn-5-en-18,20-diol [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α,20R)-3-(Methylamino)pregn-5-ene-18,20-diol [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α,20R)-3-(Méthylamino)prégn-5-ène-18,20-diol [French] [ACD/IUPAC Name]
Pregn-5-ene-18,20-diol, 3-(methylamino)-, (3α,8α,9β,10α,13α,14β,17α,20R)- [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: 485.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 86.8±12.4 °C
Index of Refraction: 1.562
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 52 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 314.8±5.0 cm3

Click to predict properties on the Chemicalize site


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