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

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Properties Simple | Detailed

Formula C20H26N7O6+
IUPAC Name (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydropteridin-1-ium-3-id-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 460.464 g·mol−1
Heat of Formation -849.3 ± 16.7 kJ·mol−1
Dipole Moment 11.55 ± 1.08 D
Volume 529.15 Å 3
Surface Area 458.14 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
InChIKey SVEJTXIHPDUQLZ-OLZOCXBDSA-N
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