ChemSpider 2D Image | 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid | C25H40O8

5α-androstane-3α,17β-diol 17-glucosiduronic acid

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID57267320
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(3α,5α,17β)-3-Hydroxyandrostan-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5α,17β)-3-Hydroxyandrostan-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5α-androstane-3α,17β-diol 17-glucosiduronic acid
Acide β-D-glucopyranosiduronique de (3α,5α,17β)-3-hydroxyandrostan-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3α,5α,17β)-3-hydroxyandrostan-17-yl [ACD/Index Name]
1157060-75-7 [RN]
148616-25-5 [RN]
3α-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronic acid
5α-ANDROSTAN-3α,17β-DIOL-17-GLUCOSIDURONATE
5α-androstane-3α,17β-diol 17-glucuronide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 656.3±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: 218.8±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 347.6±5.0 cm3

Click to predict properties on the Chemicalize site






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