ChemSpider 2D Image | N-{4-[{[(6R)-2-Amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid | C20H25N7O7

N-{4-[{[(6R)-2-Amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid

  • Molecular FormulaC20H25N7O7
  • Average mass475.455 Da
  • Monoisotopic mass475.181549 Da
  • ChemSpider ID23199136

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Acide N-{4-[{[(6R)-2-amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-6-ptéridinyl]méthyl}(formyl)amino]benzoyl}-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[[(6R)-2-amino-1,4,4a,5,6,7,8,8a-octahydro-4-oxo-6-pteridinyl]methyl]formylamino]benzoyl]- [ACD/Index Name]
N-{4-[{[(6R)-2-Amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid [ACD/IUPAC Name]
N-{4-[{[(6R)-2-Amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutaminsäure [German] [ACD/IUPAC Name]
N-{4-[{[(6R)-2-amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-D-glutamic acid
(2R)-2-{[4-(N-{[(6R)-2-amino-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl]methyl}formamido)phenyl]formamido}pentanedioic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -5.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 280.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement