[(2S,3As,4S,6R,6Ar)-6-(Hydroxymethyl)-4-(4-Oxo-3,5-Dihydropyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Id-7-Yl)-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-2-Yl]Methylphosphonic Acid

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Formula C13H17N3O8P
IUPAC Name [(2s,3as,4s,6r,6ar)-6-(hydroxymethyl)-4-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]methylphosphonic acid
Molecular Mass 374.263 g·mol−1
Heat of Formation -1492.2 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 380.05 Å 3
Surface Area 326.81 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey LNGGGMHLRZFRFP-LYLJZPTISA-O
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