ChemSpider 2D Image | (1beta,11alpha,12alpha,13xi,14xi,15beta)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl (2S)-2-hydroxy-2-methylbutanoate | C25H34O10

(1β,11α,12α,13ξ,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl (2S)-2-hydroxy-2-methylbutanoate

  • Molecular FormulaC25H34O10
  • Average mass494.531 Da
  • Monoisotopic mass494.215210 Da
  • ChemSpider ID95636594

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(1β,11α,12α,13ξ,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl (2S)-2-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
(1β,11α,12α,13ξ,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-(2S)-2-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-méthylbutanoate de (1β,11α,12α,13ξ,14ξ,15β)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-2-methyl-, (1β,11α,12α,13ξ,14ξ,15β)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester, (2S)- [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: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 240.7±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.81
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.81
Polar Surface Area: 160 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement