Found 1 result

Search term: NZDUGVXSNKOUMV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (11beta)-11,21-Diacetoxy-3,20-dioxopregna-1,4-dien-17-yl valerate | C30H40O8

(11β)-11,21-Diacetoxy-3,20-dioxopregna-1,4-dien-17-yl valerate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID2322950

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-11,21-Diacetoxy-3,20-dioxopregna-1,4-dien-17-yl valerate [ACD/IUPAC Name]
(11β)-11,21-Diacetoxy-3,20-dioxopregna-1,4-dien-17-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, (11β)-11,21-bis(acetyloxy)-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Valérate de (11β)-11,21-diacétoxy-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
11,21-Bis(acetyloxy)-11-hydroxy-1,7-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione
11-Acetyl PVA
80447-56-9 [RN]
Prednisolone 17-valerate 11,21-diacetate
Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-11-hydroxy-1,7-((1-oxopentyl)oxy)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 258.3±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2139.96
ACD/KOC (pH 5.5): 8423.67
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2139.96
ACD/KOC (pH 7.4): 8423.67
Polar Surface Area: 113 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site


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