ChemSpider 2D Image | (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl beta-D-glucopyranoside | C27H38O10

(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl β-D-glucopyranoside

  • Molecular FormulaC27H38O10
  • Average mass522.585 Da
  • Monoisotopic mass522.246521 Da
  • ChemSpider ID8003862
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl β-D-glucopyranoside [ACD/IUPAC Name]
(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(β-D-glucopyranosyloxy)-11,17-dihydroxy-, (11β)- [ACD/Index Name]
β-D-Glucopyranoside de (11β)-11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 261.0±26.4 °C
Index of Refraction: 1.638
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.82
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.69
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.68
Polar Surface Area: 174 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

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