N-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}-2-Fluorobenzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C19H19FN8O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluoro-benzoyl]amino]pentanedioic acid
Molecular Mass 458.403 g·mol−1
Heat of Formation -745.2 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 499.21 Å 3
Surface Area 453.17 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluoro-benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluoro-benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluoro-phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluorobenzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]-2-fluorophenyl]-oxomethyl]amino]pentanedioic acid
  • 2'-fluoroaminopterin
  • l-glutamic acid, n-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)-2-fluorobenzoyl)-
CAS Number(s)
  • 85803-29-8
InChIKey OSRHQFAITKCASI-LBPRGKRZSA-N
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