ChemSpider 2D Image | (1beta,11alpha,15beta)-1,11,12,14,15-Pentahydroxy-13,20-epoxypicras-3-ene-2,16-dione | C20H26O9

(1β,11α,15β)-1,11,12,14,15-Pentahydroxy-13,20-epoxypicras-3-ene-2,16-dione

  • Molecular FormulaC20H26O9
  • Average mass410.415 Da
  • Monoisotopic mass410.157684 Da
  • ChemSpider ID76962557

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(1β,11α,15β)-1,11,12,14,15-Pentahydroxy-13,20-epoxypicras-3-en-2,16-dion [German] [ACD/IUPAC Name]
(1β,11α,15β)-1,11,12,14,15-Pentahydroxy-13,20-epoxypicras-3-ene-2,16-dione [ACD/IUPAC Name]
(1β,11α,15β)-1,11,12,14,15-Pentahydroxy-13,20-époxypicras-3-ène-2,16-dione [French] [ACD/IUPAC Name]
Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12,14,15-pentahydroxy-, (1β,11α,15β)- [ACD/Index Name]
21499-66-1 [RN]
bruceine D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.3±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: 235.8±25.0 °C
Index of Refraction: 1.670
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.02
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.01
Polar Surface Area: 154 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 255.3±5.0 cm3

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