ChemSpider 2D Image | 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanate | C34H32N2O8

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanate

  • Molecular FormulaC34H32N2O8
  • Average mass596.627 Da
  • Monoisotopic mass596.215881 Da
  • ChemSpider ID29792972

More details:

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

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanate [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}tryptophanate de 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18702.93
ACD/KOC (pH 5.5): 39757.50
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18697.14
ACD/KOC (pH 7.4): 39745.20
Polar Surface Area: 125 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

Click to predict properties on the Chemicalize site


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