ChemSpider 2D Image | N-{[5-Methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-D-valine | C28H28N2O7

N-{[5-Methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-D-valine

  • Molecular FormulaC28H28N2O7
  • Average mass504.531 Da
  • Monoisotopic mass504.189636 Da
  • ChemSpider ID21834542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[2-[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl]glycyl- [ACD/Index Name]
N-{[5-Methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-D-valin [German] [ACD/IUPAC Name]
N-{[5-Methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-D-valine [ACD/IUPAC Name]
N-{2-[5-Méthyl-3-(4-méthylphényl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]acétyl}glycyl-D-valine [French] [ACD/IUPAC Name]
(2R)-3-methyl-2-(2-{2-[4-methyl-6-(4-methylphenyl)-2-oxofurano[3,2-g]chromen-3-yl]acetylamino}acetylamino)butanoic acid
(R)-3-methyl-2-(2-(2-(5-methyl-7-oxo-3-(p-tolyl)-7H-furo[3,2-g]chromen-6-yl)acetamido)acetamido)butanoic acid
3-Methyl-2-{2-[2-(5-methyl-7-oxo-3-p-tolyl-7H-furo[3,2-g]chromen-6-yl)-acetylamino]-acetylamino}-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 458.0±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 14.50
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

Click to predict properties on the Chemicalize site


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