ChemSpider 2D Image | (11alpha)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl D-glucuronate | C27H38O11

(11α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl D-glucuronate

  • Molecular FormulaC27H38O11
  • Average mass538.584 Da
  • Monoisotopic mass538.241394 Da
  • ChemSpider ID133484

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(11α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl D-glucuronate [ACD/IUPAC Name]
(11α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-D-glucuronat [German] [ACD/IUPAC Name]
D-Glucuronate de (11α)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
D-Glucuronic acid, (11α)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
7301-54-4 [RN]
Cortisol 21-b-D-Glucuronide
Cortisol-21-glucosiduronate
Hydrocortisone 21-glucuronate
β-D-Glucopyranosiduronic acid, (11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl

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

Density: 1.4±0.1 g/cm3
Boiling Point: 816.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 269.7±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.16
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.16
Polar Surface Area: 199 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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