[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydrothiopyran-2-Yl] [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] Phosphate

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Formula C17H27N3O16P2S++
IUPAC Name [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 623.419 g·mol−1
Heat of Formation -3522.6 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 627.65 Å 3
Surface Area 493.03 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey JPRVHSQHWXZSNC-UBDZBXRQSA-N
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