ChemSpider 2D Image | 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methyl-2-butenoate | C25H32O9

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methyl-2-butenoate

  • Molecular FormulaC25H32O9
  • Average mass476.516 Da
  • Monoisotopic mass476.204620 Da
  • ChemSpider ID24622742

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, 11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de 1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
(1β,12α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methylbut-2-enoate
78456-37-8 [RN]
NSC-697453
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-, (1β,11β,12α,15β)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 231.5±25.0 °C
Index of Refraction: 1.610
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.20
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.20
Polar Surface Area: 140 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 337.6±5.0 cm3

Click to predict properties on the Chemicalize site


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