ChemSpider 2D Image | (3beta,5beta,8xi,9beta,10alpha,13alpha,14beta,17alpha)-(16,16,17-~2~H_3_)Androstane-3,17-diol | C19H29D3O2

(3β,5β,8ξ,9β,10α,13α,14β,17α)-(16,16,17-2H3)Androstane-3,17-diol

  • Molecular FormulaC19H29D3O2
  • Average mass295.475 Da
  • Monoisotopic mass295.259064 Da
  • ChemSpider ID78075948

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5β,8ξ,9β,10α,13α,14β,17α)-(16,16,17-2H3)Androstan-3,17-diol [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9β,10α,13α,14β,17α)-(16,16,17-2H3)Androstane-3,17-diol [ACD/IUPAC Name]
(3β,5β,8ξ,9β,10α,13α,14β,17α)-(16,16,17-2H3)Androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-16,16,17-d3-3,17-diol, (3β,5β,8ξ,9β,10α,13α,14β,17α)- [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: 415.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 186.0±15.8 °C
Index of Refraction: 1.546
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 285.89
ACD/KOC (pH 5.5): 1994.15
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 285.89
ACD/KOC (pH 7.4): 1994.15
Polar Surface Area: 40 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

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