ChemSpider 2D Image | N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-(~13~C_5_,~15~N)glutamic acid | C1513C5H21N415NO6

N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-(13C5,15N)glutamic acid

  • Molecular FormulaC1513C5H21N415NO6
  • Average mass433.367 Da
  • Monoisotopic mass433.162994 Da
  • ChemSpider ID58793420

  • 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-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}-D-(13C5,15N)glutamique [French] [ACD/IUPAC Name]
D-Glutamic-13C5-15N acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]- [ACD/Index Name]
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-(13C5,15N)glutamic acid [ACD/IUPAC Name]
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-(13C5,15N)glutaminsäure [German] [ACD/IUPAC Name]
1352799-66-6 [RN]
137281-23-3 [RN]
MFCD30179536
Pemetrexed [INN] [USAN] [Wiki]
pemetrexed labeled 15n,13c5
s)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic 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: 1.724
    Molar Refractivity: 106.3±0.5 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 42.1±0.5 10-24cm3
    Surface Tension: 72.6±7.0 dyne/cm
    Molar Volume: 268.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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