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

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Properties Simple | Detailed

Formula C19H20N7O6+
IUPAC Name (2s)-2-[[4-[[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 442.405 g·mol−1
Heat of Formation -701.1 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 483.53 Å 3
Surface Area 441.23 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-4-keto-1h-pteridin-6-yl)amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • isofolic acid
  • n-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)amino)methyl)benzoyl)-l-glutamic acid
  • n-(p-(((2-amino-4-hydroxy-6-pteridinyl)amino)methyl)benzoyl)glutamic acid
CAS Number(s)
  • 52560-13-1
InChIKey IAUVIFJNDZCYPY-NSHDSACASA-N
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