N-(4-{[3-(2,4-Diamino-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Propyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C19H25N6O6+
IUPAC Name (2s)-2-[[4-[3-(2,6-diamino-4-oxo-pyrimidin-1-ium-3-id-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 433.438 g·mol−1
Heat of Formation -936.5 ± 16.7 kJ·mol−1
Dipole Moment 12.43 ± 1.08 D
Volume 500.77 Å 3
Surface Area 450.78 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[3-(2,4-diamino-6-keto-3h-pyrimidin-5-yl)propylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-dacthf
  • 5-deazacyclotetrahydrofolate
  • 543u76
  • n-(4-((3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)benzoyl)glutamic acid
CAS Number(s)
  • 118252-44-1
InChIKey CPVRCGLCOADOPV-ZDUSSCGKSA-N
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