(2R,3R,4S,5S)-3,4-Dihydroxy-5-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]Tetrahydro-2H-Pyran-2-Yl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxyt Etrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C22H33N4O20P3++
IUPAC Name [(2r,3r,4s,5s)-3,4-dihydroxy-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]tetrahydropyran-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 766.434 g·mol−1
Heat of Formation -4377.3 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 772.05 Å 3
Surface Area 630.97 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey SNDXWZNPMTZYQI-LLAQWDROSA-N
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