N-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}-3-Fluorobenzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C19H19FN8O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid
Molecular Mass 458.403 g·mol−1
Heat of Formation -724.7 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 498.66 Å 3
Surface Area 453.29 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]-3-fluorophenyl]-oxomethyl]amino]pentanedioic acid
  • 3'-fluoroaminopterin
  • l-glutamic acid, n-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)-3-fluorobenzoyl)-
CAS Number(s)
  • 85803-34-5
InChIKey SGJMILOGOMOIPG-LBPRGKRZSA-N
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