ChemSpider 2D Image | 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C30H24N4O8

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC30H24N4O8
  • Average mass568.534 Da
  • Monoisotopic mass568.159424 Da
  • ChemSpider ID2801868

More details:

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

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylméthyl)-5-(3-nitrophényl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)octahydro-1-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxo- [ACD/Index 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: 895.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.5±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.26
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 167 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

Click to predict properties on the Chemicalize site


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