ChemSpider 2D Image | Methyl (8xi,10xi,12alpha,15beta)-15-(benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | C28H30O11

Methyl (8ξ,10ξ,12α,15β)-15-(benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

  • Molecular FormulaC28H30O11
  • Average mass542.531 Da
  • Monoisotopic mass542.178833 Da
  • ChemSpider ID9802818

  • defined stereocentres - 7 of 11 defined stereocentres

More details:

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

(8ξ,10ξ,12α,15β)-15-(Benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (8ξ,10ξ,12α,15β)-15-(benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-(8ξ,10ξ,12α,15β)-15-(benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (8ξ,10ξ,12α,15β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 253.5±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.11
ACD/KOC (pH 5.5): 169.26
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.11
ACD/KOC (pH 7.4): 169.26
Polar Surface Area: 166 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 357.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement