ChemSpider 2D Image | N-[4-(3-Amino-1-oxo-1,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-c][2,6]naphthyridin-9(2H)-yl)benzoyl]glutamic acid | C22H26N6O6

N-[4-(3-Amino-1-oxo-1,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-c][2,6]naphthyridin-9(2H)-yl)benzoyl]glutamic acid

  • Molecular FormulaC22H26N6O6
  • Average mass470.478 Da
  • Monoisotopic mass470.191376 Da
  • ChemSpider ID23227393

More details:

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

Acide N-[4-(3-amino-1-oxo-1,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-c][2,6]naphtyridin-9(2H)-yl)benzoyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-(3-amino-6,6a,7,8,10,10a-hexahydro-1-hydroxypyrimido[4,5-c][2,6]naphthyridin-9(5H)-yl)benzoyl]- [ACD/Index Name]
N-[4-(3-Amino-1-oxo-1,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-c][2,6]naphthyridin-9(2H)-yl)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-(3-Amino-1-oxo-1,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-c][2,6]naphthyridin-9(2H)-yl)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3H-1,3,6,10-tetraaza-phenanthren-6-yl)-benzoylamino]-pentanedioic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 322.7±3.0 cm3

Click to predict properties on the Chemicalize site


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