S-[(2R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl] O-{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl} Dihydrogen Thiodiphosphate

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Formula C17H27N3O16P2S
IUPAC Name s-[(2r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen thiodiphosphate
Molecular Mass 623.419 g·mol−1
Heat of Formation -3409.9 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 630.47 Å 3
Surface Area 525.86 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey NBABRWVWQSKDQY-ZYQOOJPVSA-N
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