ChemSpider 2D Image | N-(4-{[(4-Amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)glutamic acid | C20H21N7O5

N-(4-{[(4-Amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)glutamic acid

  • Molecular FormulaC20H21N7O5
  • Average mass439.425 Da
  • Monoisotopic mass439.160431 Da
  • ChemSpider ID14598074

More details:

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

Acide N-(4-{[(4-amino-2-méthyl-6-ptéridinyl)méthyl]amino}benzoyl)glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(4-amino-2-methyl-6-pteridinyl)methyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(4-Amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)glutamic acid [ACD/IUPAC Name]
N-(4-{[(4-Amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(4-amino-2-methylpteridin-6-yl)methyl]amino}benzoyl)glutamic acid
2-{4-[(4-Amino-2-methyl-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307137/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 89.5±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

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