ChemSpider 2D Image | N-(2-{[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoyl)-D-phenylalanine | C30H32N2O7

N-(2-{[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoyl)-D-phenylalanine

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID21834715

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

D-Phenylalanine, N-[1-oxo-2-[[1-oxo-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]amino]butyl]- [ACD/Index Name]
N-(2-{[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoyl)-D-phenylalanin [German] [ACD/IUPAC Name]
N-(2-{[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoyl)-D-phenylalanine [ACD/IUPAC Name]
N-(2-{[3-(2,3,5-Triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]amino}butanoyl)-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-3-phenyl-2-{2-[3-(4,6,7-trimethyl-2-oxofurano[3,2-g]chromen-3-yl)propanoylamino]butanoylamino}propanoic 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: 846.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 4.98
ACD/KOC (pH 5.5): 23.83
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 135 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site


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