ChemSpider 2D Image | Elsinochrome A | C30H24O10

Elsinochrome A

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID26353349
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2S)-1,2-Diacetyl-5,10-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylen-4,11-dion [German] [ACD/IUPAC Name]
(1S,2S)-1,2-Diacetyl-5,10-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-4,11-dione [ACD/IUPAC Name]
(1S,2S)-1,2-Diacétyl-5,10-dihydroxy-3,7,8,12-tétraméthoxy-1,2-dihydrobenzo[ghi]pérylène-4,11-dione [French] [ACD/IUPAC Name]
1S,2S)-1,2-diacetyl-4,11-dihydroxy-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-5,10-dione
Benzo[ghi]perylene-4,11-dione, 1,2-diacetyl-1,2-dihydro-5,10-dihydroxy-3,7,8,12-tetramethoxy-, (1S,2S)- [ACD/Index Name]
Elsinochrome A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 927.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 311.8±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3737.93
ACD/KOC (pH 5.5): 12327.45
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 442.12
ACD/KOC (pH 7.4): 1458.09
Polar Surface Area: 146 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 351.0±5.0 cm3

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