5'-Deoxy-2',3'-O-Isopropylidene-5'-(4-{5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentyl}-1H-1,2,3-Triazol-1-Yl)Adenosine

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Formula C25H36N10O4S
IUPAC Name (3as,4s,6ar)-4-[5-[1-[[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
Molecular Mass 572.683 g·mol−1
Heat of Formation -325.9 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 654.71 Å 3
Surface Area 498.04 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey JOAMEQGLLLPUCO-SGEVEQOLSA-N
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