ChemSpider 2D Image | 6,11-Dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione | C29H26O10

6,11-Dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione

  • Molecular FormulaC29H26O10
  • Average mass534.511 Da
  • Monoisotopic mass534.152588 Da
  • ChemSpider ID82724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6,11-Dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepin-5,12-dion [German] [ACD/IUPAC Name]
6,11-Dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione [ACD/IUPAC Name]
6,11-Dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-diméthoxypérylo[1,12-def][1,3]dioxépine-5,12-dione [French] [ACD/IUPAC Name]
Peryleno[1,12-def]-1,3-dioxepin-5,12-dione, 6,11-dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxy- [ACD/Index Name]
cercosporin
Perylo(1,12-def)-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer (VAN)

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

NSC 153111 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 886.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 299.0±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.74
ACD/KOC (pH 5.5): 1287.53
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 86.71
ACD/KOC (pH 7.4): 716.81
Polar Surface Area: 152 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 335.3±5.0 cm3

Click to predict properties on the Chemicalize site


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