6-Sulfanyluridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13N2O9PS++
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxo-6-sulfanyl-5h-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 356.246 g·mol−1
Heat of Formation -1862.5 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 344.76 Å 3
Surface Area 299.99 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey VNOFOHWXLQGLEX-YXZULKJRSA-N
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