ChemSpider 2D Image | N-[4-({[2-Amino-5-(~2~H_3_)methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid | C20H22D3N7O6

N-[4-({[2-Amino-5-(2H3)methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC20H22D3N7O6
  • Average mass462.474 Da
  • Monoisotopic mass462.205475 Da
  • ChemSpider ID48061771

  • defined stereocentres - 1 of 2 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-amino-5-(2H3)méthyl-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[2-amino-1,4,5,6,7,8-hexahydro-5-(methyl-d3)-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[2-Amino-5-(2H3)methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[2-Amino-5-(2H3)methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[[4-[[2-amino-4-oxo-5-(trideuteriomethyl)-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
1356019-97-0 [RN]
N-[4-({[2-Amino-5-(2H3)methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.733
    Molar Refractivity: 113.1±0.5 cm3
    #H bond acceptors: 13
    #H bond donors: 8
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: -2.61
    ACD/LogD (pH 5.5): -4.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 198 Å2
    Polarizability: 44.9±0.5 10-24cm3
    Surface Tension: 73.9±7.0 dyne/cm
    Molar Volume: 282.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement