ChemSpider 2D Image | Methyl 15-(benzoyloxy)-2,11,12-trihydroxy-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate | C28H28O11

Methyl 15-(benzoyloxy)-2,11,12-trihydroxy-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID278800

More details:

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

15-(Benzoyloxy)-2,11,12-trihydroxy-3,16-dioxo-13,20-époxypicrasa-1,4-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 15-(benzoyloxy)-2,11,12-trihydroxy-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate [ACD/IUPAC Name]
Methyl-15-(benzoyloxy)-2,11,12-trihydroxy-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oat [German] [ACD/IUPAC Name]
Picrasa-1,4-dien-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-2,11,12-trihydroxy-3,16-dioxo-, methyl ester [ACD/Index Name]
53663-00-6 [RN]
DEHYDROBRUCEANTARIN

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

NSC238179 [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: 782.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 262.6±26.4 °C
Index of Refraction: 1.664
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.18
ACD/KOC (pH 5.5): 407.83
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 23.87
ACD/KOC (pH 7.4): 312.17
Polar Surface Area: 166 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 349.0±5.0 cm3

Click to predict properties on the Chemicalize site


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