ChemSpider 2D Image | N-(4-{[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid | C21H27N7O5

N-(4-{[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC21H27N7O5
  • Average mass457.483 Da
  • Monoisotopic mass457.207367 Da
  • ChemSpider ID28663249
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Acide N-(4-{[(2,4-diamino-5,6,7,8-tétrahydropyrido[3,2-d]pyrimidin-6-yl)méthyl](méthyl)amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

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