ChemSpider 2D Image | 5-alpha-Dihydrotestosterone glucuronide | C25H38O8

5-α-Dihydrotestosterone glucuronide

  • Molecular FormulaC25H38O8
  • Average mass466.564 Da
  • Monoisotopic mass466.256653 Da
  • ChemSpider ID24850129
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(5α,17β)-3-Oxoandrostan-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α,17β)-3-Oxoandrostan-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5-α-Dihydrotestosterone glucuronide
Acide β-D-glucopyranosiduronique de (5α,17β)-3-oxoandrostan-17-yle [French] [ACD/IUPAC Name]
Androstan-3-one, 17-(β-D-glucopyranuronosyloxy)-, (5α,17β)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-(((5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-{[(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-{[(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
17β-hydroxy-5α-androstan-3-one glucuronide
3-oxo-5α-androstan-17β-yl β-D-glucopyranosiduronic acid
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  • Miscellaneous
    • Chemical Class:

      A steroid glucosiduronic acid that is 5<stereo>alpha</stereo>-dihydrotestosterone having a single <stereo>beta</stereo>-<stereo>D</stereo>-glucuronic acid residue attached at position 17. ChEBI CHEBI:89417

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.592
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 346.5±5.0 cm3

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