ChemSpider 2D Image | (1beta,5beta,7alpha,8alpha,9beta,10alpha,11beta,12alpha)-1,11,12-Trihydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione | C20H24O7

(1β,5β,7α,8α,9β,10α,11β,12α)-1,11,12-Trihydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione

  • Molecular FormulaC20H24O7
  • Average mass376.400 Da
  • Monoisotopic mass376.152191 Da
  • ChemSpider ID114393131

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1β,5β,7α,8α,9β,10α,11β,12α)-1,11,12-Trihydroxy-11,20-epoxypicrasa-3,13(21)-dien-2,16-dion [German] [ACD/IUPAC Name]
(1β,5β,7α,8α,9β,10α,11β,12α)-1,11,12-Trihydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione [ACD/IUPAC Name]
(1β,5β,7α,8α,9β,10α,11β,12α)-1,11,12-Trihydroxy-11,20-époxypicrasa-3,13(21)-diène-2,16-dione [French] [ACD/IUPAC Name]
Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1β,5β,7α,8α,9β,10α,11β,12α)- [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: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 231.6±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.25
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.25
Polar Surface Area: 113 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 254.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement