ChemSpider 2D Image | 1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate | C25H34O9

1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate

  • Molecular FormulaC25H34O9
  • Average mass478.532 Da
  • Monoisotopic mass478.220276 Da
  • ChemSpider ID24629611

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, 11,20-epoxy-1,2,11,12-tetrahydroxy-16-oxopicras-3-en-6-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de 1,2,11,12-tétrahydroxy-16-oxo-11,20-époxypicras-3-én-6-yle [French] [ACD/IUPAC 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: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 222.0±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.38
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.38
Polar Surface Area: 143 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

Click to predict properties on the Chemicalize site


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