ChemSpider 2D Image | N-{4-[3-Amino-1-oxo(9-~11~C)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid | C1911CH23N7O6

N-{4-[3-Amino-1-oxo(9-11C)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid

  • Molecular FormulaC1911CH23N7O6
  • Average mass456.441 Da
  • Monoisotopic mass456.182404 Da
  • ChemSpider ID9169313

  • defined stereocentres - 1 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-[3-amino-1-oxo(9-11C)-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-(3-amino-1,4,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl-9-11C)benzoyl]- [ACD/Index Name]
N-{4-[3-Amino-1-oxo(9-11C)-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid [ACD/IUPAC Name]
N-{4-[3-Amino-1-oxo(9-11C)-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:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 86.4±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

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