N-[4-({[(6R)-2-Amino-5-Methyl-4-Oxo-3,4,5,6,7,8-Hexahydro-6-Pteridinyl]Methyl}Amino)Benzoyl]-D-Glutamic Acid

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Properties Simple | Detailed

Formula C20H26N7O6+
IUPAC Name (2r)-2-[[4-[[(5r,6r)-2-amino-5-methyl-4-oxo-7,8-dihydro-6h-pteridin-1-ium-3-id-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 460.464 g·mol−1
Heat of Formation -819.1 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 515.23 Å 3
Surface Area 459.05 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey ZNOVTXRBGFNYRX-CHWSQXEVSA-N
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