N-[4-({[(6R)-2-Amino-5-Formyl-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]Methyl}Amino)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H23N7O7
IUPAC Name carbon dioxide; carbononitridic isocyanate; ethylene; (2e)-2-[4-[[(3r)-4-formyl-6-imino-2,3-dihydro-1h-pyrazin-3-yl]methylamino]benzoyl]iminioacetate
Molecular Mass 473.439 g·mol−1
Heat of Formation -1005.2 ± 16.7 kJ·mol−1
Dipole Moment 11.11 ± 1.08 D
Volume 522.43 Å 3
Surface Area 458.87 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(6r)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(6r)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(6r)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(6r)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-formyl-5,6,7,8-tetrahydrofolate
  • 6r-leucovorin
  • l-glutamic acid, n-(4-((((6r)-2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-
CAS Number(s)
  • 73951-54-9
InChIKey VVIAGPKUTFNRDU-OLZOCXBDSA-N
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