ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(3-nitro-5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)methyl]-D-glucitol | C23H20N2O9

(1S)-1,5-Anhydro-1-[(3-nitro-5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)methyl]-D-glucitol

  • Molecular FormulaC23H20N2O9
  • Average mass468.413 Da
  • Monoisotopic mass468.116882 Da
  • ChemSpider ID31129795

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(3-nitro-5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isochinolin-6-yl)methyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(3-nitro-5,11-dioxo-5,11-dihydro-6H-indéno[1,2-c]isoquinoléin-6-yl)méthyl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(3-nitro-5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)methyl]-D-glucitol [ACD/IUPAC Name]
D-glycero-D-gulo-Heptitol, 2,6-anhydro-1-deoxy-1-(5,11-dihydro-3-nitro-5,11-dioxo-6H-indeno[1,2-c]isoquinolin-6-yl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 804.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.6±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 76.34
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 76.34
Polar Surface Area: 173 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 104.1±5.0 dyne/cm
Molar Volume: 275.0±5.0 cm3

Click to predict properties on the Chemicalize site


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