[(2S,3R,5R)-5-(2-Amino-6-Methyl-4,7-Dioxo-Pteridin-1-Ium-4A-Ylium-8-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H17N5O8P+
IUPAC Name [(2s,3r,5r)-5-(2-amino-6-methyl-4,7-dioxo-pteridin-1-ium-4a-ylium-8-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 390.266 g·mol−1
Heat of Formation -1531.8 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 384.38 Å 3
Surface Area 340.83 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey ZHNPRYPLFLWMLI-DSYKOEDSSA-N
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