ChemSpider 2D Image | N-(4-{[(2,4-Diamino-6-pteridinyl)methyl][(~2~H_3_)methyl]amino}benzoyl)-L-glutamic acid | C20H19D3N8O5

N-(4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC20H19D3N8O5
  • Average mass457.458 Da
  • Monoisotopic mass457.190155 Da
  • ChemSpider ID9071017
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Acide N-(4-{[(2,4-diamino-6-ptéridinyl)méthyl][(2H3)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
432545-63-6 [RN]
L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]- (9CI)
Methotrexate-d3
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-L-glutamic acid

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: 1.738
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 96.5±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement