N-[4-({[(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Methyl]Amino}Methyl)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H22N7O6+
IUPAC Name (2s)-2-[[4-[[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)methylamino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 456.432 g·mol−1
Heat of Formation -699.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 508.87 Å 3
Surface Area 464.84 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-4-keto-1h-pteridin-6-yl)methylamino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • isohomofolic acid
  • n-(4-((((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)methyl)benzoyl)-l-glutamic acid
CAS Number(s)
  • 24960-28-9
InChIKey GBNHJINZQOWTDD-ZDUSSCGKSA-N
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