4-(6-Amino-9H-Purin-9-Yl)-6-(Hydroxymethyl)Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Olate 2-Sulfide

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Formula C10H13N5O5PS
IUPAC Name [(2r,3ar,4r,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-sulfido-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ium-6-yl]methanol
Molecular Mass 346.279 g·mol−1
Heat of Formation -889.5 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 346.29 Å 3
Surface Area 296.01 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey OMSUUENXGWGOLC-LHKKBNDGSA-N
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