{(2R,3S,4R,5R)-5-[5-(5-Formyl-2-Thienyl)-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl]-3,4-Dihydroxytetrahydro-2-Furanyl}Methyl (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Formula C20H26N2O18P2S++
IUPAC Name [[(2r,3s,4r,5r)-5-[5-(5-formyl-2-thienyl)-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 676.436 g·mol−1
Heat of Formation -3706.5 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 670.29 Å 3
Surface Area 519.68 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey KKHANSZRQMPJKN-PCGMDOMSSA-N
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