ChemSpider 2D Image | N-(4-{[(2,4-Diamino-7-methyl-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid | C20H22N8O5

N-(4-{[(2,4-Diamino-7-methyl-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC20H22N8O5
  • Average mass454.439 Da
  • Monoisotopic mass454.171326 Da
  • ChemSpider ID62985820

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[(2,4-diamino-7-méthyl-6-ptéridinyl)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-7-methyl-6-pteridinyl)methyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-7-methyl-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-7-methyl-6-pteridinyl)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
35190-26-2 [RN]

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: 1.746
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 97.2±3.0 dyne/cm
Molar Volume: 293.4±3.0 cm3

Click to predict properties on the Chemicalize site


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