ChemSpider 2D Image | N-{4-[(6aR)-3-Amino-1-oxo(9-~2~H_1_)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid | C20H22DN7O6

N-{4-[(6aR)-3-Amino-1-oxo(9-2H1)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid

  • Molecular FormulaC20H22DN7O6
  • Average mass458.446 Da
  • Monoisotopic mass458.177246 Da
  • ChemSpider ID9822977

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-{4-[(6aR)-3-amino-1-oxo(9-2H1)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8(9H)-yl]benzoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[(6aR)-3-amino-1,4,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl-9-d]benzoyl]- [ACD/Index Name]
N-{4-[(6aR)-3-Amino-1-oxo(9-2H1)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid [ACD/IUPAC Name]
N-{4-[(6aR)-3-Amino-1-oxo(9-2H1)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.801
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -5.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 86.4±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

Click to predict properties on the Chemicalize site


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