N-(4-{[(2-Amino-4-Hydroxypteridin-6-Yl)Methyl](Prop-2-Yn-1-Yl)Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H22N7O6+
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 480.453 g·mol−1
Heat of Formation -456.8 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 528.25 Å 3
Surface Area 443.98 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-pteridin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)-2-propylamino)benzoyl)-
  • l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)-2-propynylamino)benzoyl)-
  • n(10)-propargylfolic acid
  • n-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)-2-propynylamino)benzoyl)-l-glutamic acid
CAS Number(s)
  • 101760-45-6
InChIKey SQJGTVKPWANJGI-HNNXBMFYSA-N
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