ChemSpider 2D Image | (1R,2R)-1,2-Diacetyl-4,11-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-5,10-dione | C30H24O10

(1R,2R)-1,2-Diacetyl-4,11-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-5,10-dione

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID91736
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-1,2-Diacetyl-4,11-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylen-5,10-dion [German] [ACD/IUPAC Name]
(1R,2R)-1,2-Diacetyl-4,11-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-5,10-dione [ACD/IUPAC Name]
(1R,2R)-1,2-Diacétyl-4,11-dihydroxy-3,7,8,12-tétraméthoxy-1,2-dihydrobenzo[ghi]pérylène-5,10-dione [French] [ACD/IUPAC Name]
Benzo[ghi]perylene-5,10-dione, 1,2-diacetyl-1,2-dihydro-4,11-dihydroxy-3,7,8,12-tetramethoxy-, (1R,2R)- [ACD/Index Name]
11041-23-9 [RN]
24568-67-0 [RN]
Benzo(ghi)perylene-4,11-dione, 1,2-diacetyl-1,2-dihydro-5,10-dihydroxy-3,7,8,12-tetramethoxy-, trans-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 854.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 286.7±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 229.59
ACD/KOC (pH 5.5): 1676.38
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 31.15
ACD/KOC (pH 7.4): 227.46
Polar Surface Area: 146 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 350.4±5.0 cm3

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