ChemSpider 2D Image | 5-Nitro-2-{(2R)-1-[(2-{[(2S)-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]amino}ethyl)amino]-2-propanyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione | C32H28N6O8

5-Nitro-2-{(2R)-1-[(2-{[(2S)-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]amino}ethyl)amino]-2-propanyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC32H28N6O8
  • Average mass624.600 Da
  • Monoisotopic mass624.196838 Da
  • ChemSpider ID8049608

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[(1R)-1-methyl-2-[[2-[[(2S)-2-(5-nitro-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]amino]ethyl]amino]ethyl]-5-nitro- [ACD/Index Name]
5-Nitro-2-{(2R)-1-[(2-{[(2S)-2-(5-nitro-1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)propyl]amino}ethyl)amino]-2-propanyl}-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
5-Nitro-2-{(2R)-1-[(2-{[(2S)-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)propyl]amino}éthyl)amino]-2-propanyl}-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
5-Nitro-2-{(2R)-1-[(2-{[(2S)-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]amino}ethyl)amino]-2-propanyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione [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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.7±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 26.47
Polar Surface Area: 190 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

Click to predict properties on the Chemicalize site


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