ChemSpider 2D Image | N-{[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine | C21H21NO6

N-{[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine

  • Molecular FormulaC21H21NO6
  • Average mass383.395 Da
  • Monoisotopic mass383.136902 Da
  • ChemSpider ID120947992

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Isoleucine, N-[2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]- [ACD/Index Name]
N-{[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucin [German] [ACD/IUPAC Name]
N-{[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine [ACD/IUPAC Name]
N-{2-[(6-Oxo-6H-benzo[c]chromén-3-yl)oxy]acétyl}-L-isoleucine [French] [ACD/IUPAC 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: 672.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Click to predict properties on the Chemicalize site


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