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 C10H12N5O5PS
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 345.272 g·mol−1
Heat of Formation 151.5 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 327.99 Å 3
Surface Area 305.4 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey OMSUUENXGWGOLC-LHKKBNDGSA-N
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