ChemSpider 2D Image | 2-{4-[17,18-Dimethoxy-3,10-dioxo-12,21-dioxapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-2(11),4,6,8,15,17,19-heptaen-13-yl]butyl}-1H-isoindole-1,3(2H)-dione | C33H27NO8

2-{4-[17,18-Dimethoxy-3,10-dioxo-12,21-dioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),4,6,8,15,17,19-heptaen-13-yl]butyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC33H27NO8
  • Average mass565.569 Da
  • Monoisotopic mass565.173645 Da
  • ChemSpider ID26397232

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[4-(5,8,13,14-tetrahydro-2,3-dimethoxy-8,13-dioxo-6,14-epoxy-6H-benzo[e]naphth[2,3-b]oxocin-6-yl)butyl]- [ACD/Index Name]
2-{4-[17,18-Dimethoxy-3,10-dioxo-12,21-dioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),4,6,8,15,17,19-heptaen-13-yl]butyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{4-[17,18-Dimethoxy-3,10-dioxo-12,21-dioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),4,6,8,15,17,19-heptaen-13-yl]butyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{4-[17,18-Diméthoxy-3,10-dioxo-12,21-dioxapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-2(11),4,6,8,15,17,19-heptaén-13-yl]butyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6646.43
ACD/KOC (pH 5.5): 18958.33
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6646.43
ACD/KOC (pH 7.4): 18958.33
Polar Surface Area: 108 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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