[(3Ar,4R,6R,6Ar)-6-(6-Amino-9H-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]Methyl Dihydrogen Phosphate

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Formula C10H13N5O9P2
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
Molecular Mass 409.186 g·mol−1
Heat of Formation -1913.5 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 388.79 Å 3
Surface Area 337.45 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey HJMBCNJTGVMDOA-KQYNXXCUSA-N
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