ChemSpider 2D Image | 1,11,12,14-Tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl benzoate | C27H30O10

1,11,12,14-Tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl benzoate

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID304027

More details:

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

1,11,12,14-Tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl benzoate [ACD/IUPAC Name]
1,11,12,14-Tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 1,11,12,14-tétrahydroxy-2,16-dioxo-13,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
Picras-3-ene-2,16-dione, 15-(benzoyloxy)-13,20-epoxy-1,11,12,14-tetrahydroxy- [ACD/Index Name]
15-β-benzoyl-Brucein D
BRUCEIN D, 15-β-BENZOYL

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

NSC381466 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 258.7±26.4 °C
Index of Refraction: 1.668
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.22
ACD/KOC (pH 5.5): 196.46
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.22
ACD/KOC (pH 7.4): 196.42
Polar Surface Area: 160 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

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