(6R)-2-Amino-6-[(1S,2R)-1,2-Dihydroxypropyl]-6,7-Dihydro-1H-Pteridin-3-Ium-4-One

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Formula C9H13N5O3
IUPAC Name (6r)-2-amino-6-[(1s,2r)-1,2-dihydroxypropyl]-6,7-dihydro-1h-pteridin-3-ium-4-one
Molecular Mass 239.231 g·mol−1
Heat of Formation -292.1 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 262.54 Å 3
Surface Area 244.06 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey XFYMOOIPEIPRLU-KVJSEYMCSA-O
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