ChemSpider 2D Image | N-[(2-Amino-4-oxo-1,4-dihydro-7-pteridinyl)carbonyl]glycyl-L-phenylalanyl-L-phenylalanine | C27H26N8O6

N-[(2-Amino-4-oxo-1,4-dihydro-7-pteridinyl)carbonyl]glycyl-L-phenylalanyl-L-phenylalanine

  • Molecular FormulaC27H26N8O6
  • Average mass558.545 Da
  • Monoisotopic mass558.197510 Da
  • ChemSpider ID29398875
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2s)-2-[[(2s)-2-[2-[(2-Azanyl-4-Oxidanylidene-1h-Pteridin-7-Yl)carbonylamino]ethanoylamino]-3-Phenyl-Propanoyl]amino]-3-Phenyl-Propanoic Acid
L-Phenylalanine, N-[(2-amino-3,4-dihydro-4-oxo-7-pteridinyl)carbonyl]glycyl-L-phenylalanyl- [ACD/Index Name]
N-[(2-Amino-4-oxo-1,4-dihydro-7-pteridinyl)carbonyl]glycyl-L-phenylalanyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(2-Amino-4-oxo-1,4-dihydro-7-pteridinyl)carbonyl]glycyl-L-phenylalanyl-L-phenylalanine [ACD/IUPAC Name]
N-[(2-Amino-4-oxo-1,4-dihydro-7-ptéridinyl)carbonyl]glycyl-L-phénylalanyl-L-phénylalanine [French] [ACD/IUPAC Name]
10.1021/jm3016393
19M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 69.8±7.0 dyne/cm
Molar Volume: 365.8±7.0 cm3

Click to predict properties on the Chemicalize site






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