ChemSpider 2D Image | (7aR,8aR,8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxirene-7,11-dione | C20H12O6

(7aR,8aR,8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxirene-7,11-dione

  • Molecular FormulaC20H12O6
  • Average mass348.306 Da
  • Monoisotopic mass348.063385 Da
  • ChemSpider ID26286831
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(7aR,8aR,8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxiren-7,11-dion [German] [ACD/IUPAC Name]
(7aR,8aR,8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxirene-7,11-dione [ACD/IUPAC Name]
(7aR,8aR,8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tétrahydropérylo[1,2-b]oxirène-7,11-dione [French] [ACD/IUPAC Name]
Peryleno[1,2-b]oxirene-7,11-dione, 7a,8a,8b,8c-tetrahydro-1,6,8c-trihydroxy-, (7aR,8aR,8bS,8cR)- [ACD/Index Name]
(11R*,12R*,12aS*,12bR*)-4,9,12b-Trihydroxy-3,10-dioxo-3,10,11,12,12a,12b-hexahydro-11,12-epoxyperylene
Stemphyltoxin III

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 263.2±26.4 °C
Index of Refraction: 1.857
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 110.76
ACD/KOC (pH 5.5): 994.03
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 12.97
ACD/KOC (pH 7.4): 116.43
Polar Surface Area: 107 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 110.2±3.0 dyne/cm
Molar Volume: 194.1±3.0 cm3

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