ChemSpider 2D Image | (3beta)-17-Oxoandrost-5-en-3-yl D-glucopyranuronate | C25H36O8

(3β)-17-Oxoandrost-5-en-3-yl D-glucopyranuronate

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID29367511
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(3β)-17-Oxoandrost-5-en-3-yl D-glucopyranuronate [ACD/IUPAC Name]
(3β)-17-Oxoandrost-5-en-3-yl-D-glucopyranuronat [German] [ACD/IUPAC Name]
D-Glucopyranuronate de (3β)-17-oxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, (3β)-17-oxoandrost-5-en-3-yl ester [ACD/Index Name]
3β-HYDROXY-5-ANDROSTEN-17-ONE3-GLUCURONIDE
5716-14-3 [RN]
Dehydroisoandrosterone 3-glucuronide
DEHYDROISOANDROSTERONE 3-GLUCURONIDECRYS TALLINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.79
ACD/KOC (pH 5.5): 215.73
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.79
ACD/KOC (pH 7.4): 215.72
Polar Surface Area: 134 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 339.1±5.0 cm3

Click to predict properties on the Chemicalize site






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