N-[4-({[(6S)-2-Amino-5-(Hydroxymethyl)-4-Oxo-1,4,5,6-Tetrahydro-6-Pteridinyl]Methyl}Amino)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H24N7O7+
IUPAC Name (2s)-2-[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-6h-pteridin-1-ium-4a-ylium-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 474.447 g·mol−1
Heat of Formation -976.4 ± 16.7 kJ·mol−1
Dipole Moment 10.72 ± 1.08 D
Volume 524.37 Å 3
Surface Area 452.99 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(6s)-2-amino-4-keto-5-methylol-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-hydroxymethylene-6-hydrofolic acid
InChIKey IIEPLRAFVCMHQF-STQMWFEESA-N
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