(2R,3S,4S,5S,6R)-5-Acetamido-3,4-Dihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C18H28N6O15P2
IUPAC Name (2r,3s,4s,5s,6r)-5-acetamido-3,4-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name)
Molecular Mass 630.394 g·mol−1
Heat of Formation -1324.1 ± 16.7 kJ·mol−1
Dipole Moment 9.71 ± 1.08 D
Volume 577.71 Å 3
Surface Area 456.86 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry C1
InChIKey QYYLCPNKZRMSFL-CBNNGKFNSA-N
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