ChemSpider 2D Image | N-[4-(3-Amino-9-imino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]glutamic acid | C20H22N8O6

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

  • Molecular FormulaC20H22N8O6
  • Average mass470.439 Da
  • Monoisotopic mass470.166229 Da
  • ChemSpider ID23139873

More details:

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

Acide N-[4-(3-amino-9-imino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8(9H)-yl)benzoyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-(3-amino-5,6,6a,7-tetrahydro-1-hydroxy-9-iminoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]- [ACD/Index Name]
N-[4-(3-Amino-9-imino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-(3-Amino-9-imino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
2-[4-(7-Amino-1-imino-9-oxo-3,3a,4,5,8,9-hexahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL439741/

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: 1.834
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.25
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 94.2±7.0 dyne/cm
Molar Volume: 257.8±7.0 cm3

Click to predict properties on the Chemicalize site


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