N-{4-[3-(2-Amino-4-Hydroxypteridin-6-Yl)-2-Methylpropyl]Benzoyl}Glutamic Acid

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Properties Simple | Detailed

Formula C22H25N6O6+
IUPAC Name (2s)-2-[[4-[(2r)-3-(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)-2-methyl-propyl]benzoyl]amino]pentanedioic acid
Molecular Mass 469.471 g·mol−1
Heat of Formation -877.1 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 551.12 Å 3
Surface Area 402.78 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey WVWNHESCQDVDTC-ABAIWWIYSA-N
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