N-{4-[(6As)-3-Amino-1-Oxo-1,4,6A,7-Tetrahydroimidazo[1,5-F]Pteridin-8(9H)-Yl]Benzoyl}-D-Glutamic Acid

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Properties Simple | Detailed

Formula C20H21N7O6
IUPAC Name (2r)-2-[[4-[(6as,8r)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 455.424 g·mol−1
Heat of Formation -695.7 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 502.58 Å 3
Surface Area 438.93 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[4-[(6as)-3-amino-1-keto-4,6a,7,9-tetrahydroimidazo[3,4-f]pteridin-8-yl]benzoyl]amino]glutaric acid
  • (2r)-2-[[4-[(6as)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid
  • (2r)-2-[[[4-[(6as)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[3,4-f]pteridin-8-yl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5,10-methylene-6-hydrofolic acid
  • tmf
InChIKey BHJAPJNOACHPNI-CHWSQXEVSA-N
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