2-Amino-7-[(1S,2R)-1,2-Dihydroxypropyl]-1,5-Dihydro-4,6-Pteridinedione

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Properties Simple | Detailed

Formula C9H12N5O4++
IUPAC Name 2-amino-7-[(1s,2s)-1,2-dihydroxypropyl]pteridine-1,5-diium-4,6-dione
Molecular Mass 254.223 g·mol−1
Heat of Formation -507.4 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 268.3 Å 3
Surface Area 250.57 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
InChIKey IVLRTAQPNLWWKT-JLAZNSOCSA-N
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