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

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Properties Simple | Detailed

Formula C20H21N6O7+
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)ethoxy]benzoyl]amino]pentanedioic acid
Molecular Mass 457.417 g·mol−1
Heat of Formation -895.6 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 509.17 Å 3
Surface Area 447.35 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2-amino-4-keto-1h-pteridin-6-yl)ethoxy]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethoxy]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethoxy]phenyl]-oxomethyl]amino]pentanedioic acid
  • 11-oxahomofolic acid
  • l-glutamic acid, n-(4-(2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethoxy)benzoyl)-
CAS Number(s)
  • 72254-43-4
InChIKey KIWDKYBQSARKOL-ZDUSSCGKSA-N
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