ChemSpider 2D Image | (3beta,5alpha,17beta)-17-(~2~H_3_)Methyl(16,16-~2~H_2_)androstane-3,17-diol | C20H29D5O2

(3β,5α,17β)-17-(2H3)Methyl(16,16-2H2)androstane-3,17-diol

  • Molecular FormulaC20H29D5O2
  • Average mass311.514 Da
  • Monoisotopic mass311.287262 Da
  • ChemSpider ID9601808
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3β,5α,17β)-17-(2H3)Methyl(16,16-2H2)androstan-3,17-diol [German] [ACD/IUPAC Name]
(3β,5α,17β)-17-(2H3)Methyl(16,16-2H2)androstane-3,17-diol [ACD/IUPAC Name]
(3β,5α,17β)-17-(2H3)Méthyl(16,16-2H2)androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-16,16-d2-3,17-diol, 17-(methyl-d3)-, (3β,5α,17β)- [ACD/Index Name]
(3S,5S,8R,9S,10S,13S,14S,17S)-16,16-dideuterio-10,13-dimethyl-17-(trideuteriomethyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
853904-65-1 [RN]
NSC 118175-d5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 418.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 184.4±15.8 °C
Index of Refraction: 1.538
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 767.70
ACD/KOC (pH 5.5): 4044.11
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 767.70
ACD/KOC (pH 7.4): 4044.11
Polar Surface Area: 40 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 286.5±3.0 cm3

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