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

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Formula C11H14NO9P
IUPAC Name [(2s,3s,4s,5s)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 335.204 g·mol−1
Heat of Formation -1630.0 ± 16.7 kJ·mol−1
Dipole Moment 18.82 ± 1.08 D
Volume 336.35 Å 3
Surface Area 295.87 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -2.97 ± eV
Point Group Symmetry C1
InChIKey JOUIQRNQJGXQDC-JXUBOQSCSA-N
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