ChemSpider 2D Image | Etiocholanolone glucuronide | C25H38O8

Etiocholanolone glucuronide

  • Molecular FormulaC25H38O8
  • Average mass466.564 Da
  • Monoisotopic mass466.256653 Da
  • ChemSpider ID58163638
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3β,5β)-17-Oxoandrostan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5β)-17-Oxoandrostan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3β,5β)-17-oxoandrostan-3-yle [French] [ACD/IUPAC Name]
Androstan-17-one, 3-(β-D-glucopyranuronosyloxy)-, (3β,5β)- [ACD/Index Name]
etiocholanolone 3-glucuronide
etiocholanolone 3-O-β-D-glucuronide
etiocholanolone 3-β-D-glucuronide
etiocholanolone 3-β-glucuronide
Etiocholanolone glucuronide [Wiki]
17-oxo-5β-androstan-3β-yl β-D-glucopyranosiduronic acid
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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): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
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

Click to predict properties on the Chemicalize site






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