ChemSpider 2D Image | (3alpha,5beta)-(17,20,21,21,21-~2~H_5_)Pregnane-3,20-diol | C21H31D5O2

(3α,5β)-(17,20,21,21,21-2H5)Pregnane-3,20-diol

  • Molecular FormulaC21H31D5O2
  • Average mass325.540 Da
  • Monoisotopic mass325.302917 Da
  • ChemSpider ID58785782
  • defined stereocentres - 8 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α,5β)-(17,20,21,21,21-2H5)Pregnan-3,20-diol [German] [ACD/IUPAC Name]
(3α,5β)-(17,20,21,21,21-2H5)Pregnane-3,20-diol [ACD/IUPAC Name]
(3α,5β)-(17,20,21,21,21-2H5)Prégnane-3,20-diol [French] [ACD/IUPAC Name]
Pregnane-17,20,21,21,21-d5-3,20-diol, (3α,5β)- [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: 435.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 191.0±15.8 °C
Index of Refraction: 1.531
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.66
ACD/KOC (pH 5.5): 4494.21
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 889.66
ACD/KOC (pH 7.4): 4494.21
Polar Surface Area: 40 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement