1-(5-O-Phosphonatopentofuranosyl)-3-Pyridiniumcarboxylate

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Formula C11H15NO9P+
IUPAC Name [(2s,3s,4s,5s)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 336.212 g·mol−1
Heat of Formation -1629.9 ± 16.7 kJ·mol−1
Dipole Moment 19.69 ± 1.08 D
Volume 336.96 Å 3
Surface Area 296.78 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -3.00 ± eV
Point Group Symmetry C1
InChIKey JOUIQRNQJGXQDC-JXUBOQSCSA-N
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