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

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Properties Simple | Detailed

Formula C20H25N7O7
IUPAC Name (2s)-2-[[4-[[(4as,5r,6s)-2-amino-4a-hydroxy-5-methyl-4-oxo-6,7-dihydro-1h-pteridin-3-ium-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 475.455 g·mol−1
Heat of Formation -967.8 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 533.51 Å 3
Surface Area 461.0 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey GJGYABXPRIKIEP-KQHSUYLTSA-N
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