ChemSpider 2D Image | (11beta)-11-Hydroxy-3,20-dioxo-21-(2-quinoxalinylsulfanyl)pregn-4-en-17-yl 2-furoate | C34H36N2O6S

(11β)-11-Hydroxy-3,20-dioxo-21-(2-quinoxalinylsulfanyl)pregn-4-en-17-yl 2-furoate

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID28482502

  • 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-dioxo-21-(2-quinoxalinylsulfanyl)pregn-4-en-17-yl 2-furoate [ACD/IUPAC Name]
(11β)-21-(2-Chinoxalinylsulfanyl)-11-hydroxy-3,20-dioxopregn-4-en-17-yl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, (11β)-11-hydroxy-3,20-dioxo-21-(2-quinoxalinylthio)pregn-4-en-17-yl ester [ACD/Index Name]
2-Furoate de (11β)-11-hydroxy-3,20-dioxo-21-(2-quinoxalinylsulfanyl)prégn-4-én-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3674.45
ACD/KOC (pH 5.5): 12403.92
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3674.45
ACD/KOC (pH 7.4): 12403.92
Polar Surface Area: 145 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 437.2±5.0 cm3

Click to predict properties on the Chemicalize site


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