ChemSpider 2D Image | N-{3-[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}glycyl-D-valine | C27H34N2O7

N-{3-[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}glycyl-D-valine

  • Molecular FormulaC27H34N2O7
  • Average mass498.568 Da
  • Monoisotopic mass498.236603 Da
  • ChemSpider ID21834579

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[3-[3-(1,1-dimethylethyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]-1-oxopropyl]glycyl- [ACD/Index Name]
N-{3-[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}glycyl-D-valin [German] [ACD/IUPAC Name]
N-{3-[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}glycyl-D-valine [ACD/IUPAC Name]
N-{3-[5,9-Diméthyl-3-(2-méthyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]propanoyl}glycyl-D-valine [French] [ACD/IUPAC Name]
(2R)-2-(2-{3-[6-(tert-butyl)-4,9-dimethyl-2-oxofurano[3,2-g]chromen-3-yl]propanoylamino}acetylamino)-3-methylbutanoic acid
(R)-2-(2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)acetamido)-3-methylbutanoic acid
2-{2-[3-(3-tert-Butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-propionylamino]-acetylamino}-3-methyl-butyric acid
N-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-valine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 422.2±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 16.21
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

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