ChemSpider 2D Image | (11beta)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate | C30H43NO6

(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC30H43NO6
  • Average mass513.666 Da
  • Monoisotopic mass513.309021 Da
  • ChemSpider ID168515

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, (11β)-11-hydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
1-Hydroxy-2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrole-3-carboxylate de (11β)-11-hydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
65402-12-2 [RN]
Corticosterone nitroxide
Pregn-4-ene-3,20-dione, 21-(((2,5-dihydro-2,2,5,5-tetramethyl-1-oxy-1H-pyrrol-3-yl)carbonyl)oxy)-11-hydroxy-, (11β)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 345.8±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.49
ACD/KOC (pH 5.5): 1252.99
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.77
ACD/KOC (pH 7.4): 1255.38
Polar Surface Area: 104 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 413.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement