ChemSpider 2D Image | N-{4-[3-(2-amino-4-hydroxypteridin-6-yl)propyl]benzoyl}glutamic acid | C21H22N6O6

N-{4-[3-(2-amino-4-hydroxypteridin-6-yl)propyl]benzoyl}glutamic acid

  • Molecular FormulaC21H22N6O6
  • Average mass454.436 Da
  • Monoisotopic mass454.160095 Da
  • ChemSpider ID23121524

More details:






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

Acide N-{4-[3-(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)propyl]benzoyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[3-(2-amino-4-hydroxy-6-pteridinyl)propyl]benzoyl]- [ACD/Index Name]
N-{4-[3-(2-amino-4-hydroxypteridin-6-yl)propyl]benzoyl}glutamic acid
N-{4-[3-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)propyl]benzoyl}glutamic acid [ACD/IUPAC Name]
N-{4-[3-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)propyl]benzoyl}glutaminsäure [German] [ACD/IUPAC Name]
119770-54-6 [RN]
2-{4-[3-(2-Amino-4-oxo-3,4-dihydro-pteridin-6-yl)-propyl]-benzoylamino}-pentanedioic acid
L-Glutamic acid,N-[4-[3-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)propyl]benzoyl]- (9CI)

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: 1.695
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 88.7±3.0 dyne/cm
Molar Volume: 303.2±3.0 cm3

Click to predict properties on the Chemicalize site






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