L-N-[P-[[(2,4-Diamino-6-Pteridinyl)Methyl]Amino]Benzoyl]-Glutamic Acid

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Properties Simple | Detailed

Formula C19H20N8O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridine-1,3,5,8-tetraium-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 440.413 g·mol−1
Heat of Formation -551.5 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 492.56 Å 3
Surface Area 445.42 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 58602-66-7 (disodium salt)
  • l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
  • n-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-l-glutamic acid
InChIKey TVZGACDUOSZQKY-LBPRGKRZSA-N
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