ChemSpider 2D Image | (1alpha,5beta,7alpha,8alpha,9beta,10alpha,11alpha,12beta,13beta,14alpha,15alpha)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methylbutanoate | C25H34O9

(1α,5β,7α,8α,9β,10α,11α,12β,13β,14α,15α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methylbutanoate

  • Molecular FormulaC25H34O9
  • Average mass478.532 Da
  • Monoisotopic mass478.220276 Da
  • ChemSpider ID82965476

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,5β,7α,8α,9β,10α,11α,12β,13β,14α,15α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methylbutanoate [ACD/IUPAC Name]
(1α,5β,7α,8α,9β,10α,11α,12β,13β,14α,15α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (1α,5β,7α,8α,9β,10α,11α,12β,13β,14α,15α)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1α,5β,7α,8α,9β,10α,11α,12β,13β,14α,15α)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index 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: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 226.2±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.11
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 68.11
Polar Surface Area: 140 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 345.0±5.0 cm3

Click to predict properties on the Chemicalize site


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