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Search term: VHNVULANWDGFPT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate | C26H36O6

17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate

  • Molecular FormulaC26H36O6
  • Average mass444.560 Da
  • Monoisotopic mass444.251190 Da
  • ChemSpider ID21164619

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

17,21-dihydroxypregn-4-ene-3,11,20-trione 21-pivalate
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregn-4-en-21-ylpivalat [German] [ACD/IUPAC Name]
285-701-1 [EINECS]
85135-80-4 [RN]
Pivalate de 17-hydroxy-3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-17-hydroxy-
Propanoic acid, 2,2-dimethyl-, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 195.8±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.75
ACD/KOC (pH 5.5): 1267.22
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.74
ACD/KOC (pH 7.4): 1267.20
Polar Surface Area: 98 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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