ChemSpider 2D Image | 4,13-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-6,11-dione | C29H26O10

4,13-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-6,11-dione

  • Molecular FormulaC29H26O10
  • Average mass534.511 Da
  • Monoisotopic mass534.152588 Da
  • ChemSpider ID4514191

More details:






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

4,13-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepin-6,11-dion [German] [ACD/IUPAC Name]
4,13-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-6,11-dione [ACD/IUPAC Name]
4,13-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-diméthoxypérylo[1,12-def][1,3]dioxépine-6,11-dione [French] [ACD/IUPAC Name]
67533-78-2 [RN]
Peryleno[1,12-def]-1,3-dioxepin-6,11-dione, 4,13-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy- [ACD/Index Name]
Perylo(1,12-def)-1,3-dioxepin-6,11-dione, 4,13-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-
Perylo[1,12-def]-1,3-dioxepin-6,11-dione, 4,13-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-
5,8-Dihydroxy-2,11-dimethoxy-1,12-(2-hydroxypropyl) -6,7-methylenedioxyperylene-3,10-quinone
Neocercosporin
NEOCEROSPORIN

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

NSC299546 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 905.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.9±3.0 kJ/mol
Flash Point: 305.2±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.37
ACD/KOC (pH 5.5): 1129.54
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 104.61
ACD/KOC (pH 7.4): 913.29
Polar Surface Area: 152 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 88.2±5.0 dyne/cm
Molar Volume: 335.9±5.0 cm3

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