ChemSpider 2D Image | 11-beta-Hydroxyandrosterone-3-glucuronide | C25H38O9

11-β-Hydroxyandrosterone-3-glucuronide

  • Molecular FormulaC25H38O9
  • Average mass482.564 Da
  • Monoisotopic mass482.251587 Da
  • ChemSpider ID30776591

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5α,11β)-11-Hydroxy-17-oxoandrostan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5α,11β)-11-Hydroxy-17-oxoandrostan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
11-β-Hydroxyandrosterone-3-glucuronide
Acide β-D-glucopyranosiduronique de (3α,5α,11β)-11-hydroxy-17-oxoandrostan-3-yle [French] [ACD/IUPAC Name]
Androstan-17-one, 3-(β-D-glucopyranuronosyloxy)-11-hydroxy-, (3α,5α,11β)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10S,11S,15S,17S)-17-hydroxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-5-yl]oxy}oxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10S,11S,15S,17S)-17-hydroxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-5-yl]oxy}oxane-2-carboxylic acid
11β-hydroxyandrosterone 3-glucuronide
11-β-Hydroxyetiocholanolone-3-glucuronide
35259-60-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 232.8±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 344.4±5.0 cm3

Click to predict properties on the Chemicalize site


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