ChemSpider 2D Image | Dimethyl N-{4-[1-(2,4-diamino-6-pteridinyl)-4-pentyn-2-yl]benzoyl}-L-glutamate | C25H27N7O5

Dimethyl N-{4-[1-(2,4-diamino-6-pteridinyl)-4-pentyn-2-yl]benzoyl}-L-glutamate

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID29211914

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Dimethyl N-{4-[1-(2,4-diamino-6-pteridinyl)-4-pentyn-2-yl]benzoyl}-L-glutamate [ACD/IUPAC Name]
Dimethyl-N-{4-[1-(2,4-diamino-6-pteridinyl)-4-pentin-2-yl]benzoyl}-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-, dimethyl ester [ACD/Index Name]
N-{4-[1-(2,4-Diamino-6-ptéridinyl)-4-pentyn-2-yl]benzoyl}-L-glutamate de diméthyle [French] [ACD/IUPAC Name]
(2S)-dimethyl 2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioate
(2S)-dimethyl 2-(4-(1-(4-amino-2-imino-2,3-dihydropteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioate
1,5-dimethyl (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioate
374777-77-2 [RN]
CS-14075
L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-, 1,5-dimethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.642
    Molar Refractivity: 135.6±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 4.33
    ACD/KOC (pH 5.5): 72.61
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.75
    ACD/KOC (pH 7.4): 213.66
    Polar Surface Area: 185 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 69.6±3.0 dyne/cm
    Molar Volume: 375.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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