ChemSpider 2D Image | (1R,2S,6R,7S)-4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C17H14N2O7

(1R,2S,6R,7S)-4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC17H14N2O7
  • Average mass358.302 Da
  • Monoisotopic mass358.080109 Da
  • ChemSpider ID107447003

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,6R,7S)-4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-, (3aR,4S,7R,7aS)- [ACD/Index Name]
1154758-31-2 [RN]
Rel-(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl (4-nitrobenzyl) carbonate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 527.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 273.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.91
ACD/KOC (pH 5.5): 229.05
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.91
ACD/KOC (pH 7.4): 229.05
Polar Surface Area: 119 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 230.7±5.0 cm3

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