N-(4-{[2-(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Ethyl]Amino}-3,5-Dichlorobenzoyl)-D-Glutamic Acid

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Properties Simple | Detailed

Formula C20H19Cl2N7O6
IUPAC Name (2r)-2-[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]-3,5-dichloro-benzoyl]amino]pentanedioic acid
Molecular Mass 524.314 g·mol−1
Heat of Formation -789.9 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 554.04 Å 3
Surface Area 471.79 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[4-[2-(2-amino-4-keto-1h-pteridin-6-yl)ethylamino]-3,5-dichloro-benzoyl]amino]glutaric acid
  • (2r)-2-[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]-3,5-dichloro-benzoyl]amino]pentanedioic acid
  • (2r)-2-[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]-3,5-dichloro-phenyl]carbonylamino]pentanedioic acid
  • (2r)-2-[[[4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]-3,5-dichlorophenyl]-oxomethyl]amino]pentanedioic acid
  • 3',5'-dichlorohomofolic acid
  • d-glutamic acid, n-(4-((2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl)amino)-3,5-dichlorobenzoyl)-
InChIKey LUACTCWCHAJXRX-GFCCVEGCSA-N
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Elements H C N O Cl