ChemSpider 2D Image | (1beta,2alpha,11beta,12alpha,15beta)-1,2,11,12,14,15-Hexahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-one | C20H26O9

(1β,2α,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-one

  • Molecular FormulaC20H26O9
  • Average mass410.415 Da
  • Monoisotopic mass410.157684 Da
  • ChemSpider ID107443322

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,2α,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-on [German] [ACD/IUPAC Name]
(1β,2α,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-one [ACD/IUPAC Name]
(1β,2α,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxy-11,20-époxypicrasa-3,13(21)-dién-16-one [French] [ACD/IUPAC Name]
Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12,14,15-hexahydroxy-, (1β,2α,11β,12α,15β)- [ACD/Index Name]
84633-28-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 227.6±25.0 °C
Index of Refraction: 1.694
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.15
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.14
Polar Surface Area: 157 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 250.9±5.0 cm3

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