N-{4-[(6Ar)-3-Amino-1-Oxo-1,2,5,6,6A,7-Hexahydroimidazo[1,5-F]Pteridin-8(9H)-Yl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H23N7O6
IUPAC Name (2s)-2-[[4-[(6ar,8s,10s)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-2-ium-8-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 457.440 g·mol−1
Heat of Formation -810.2 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 506.25 Å 3
Surface Area 446.2 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(6ar)-3-amino-1-keto-4,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(6ar)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(6ar)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(6ar)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]phenyl]-oxomethyl]amino]pentanedioic acid
  • (6r)-5,10-methylenetetrahydrofolic acid
  • 5,10-methenyl-6,7,8-trihydrofolic acid
  • mhf
InChIKey QYNUQALWYRSVHF-OLZOCXBDSA-N
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