O-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl] O-{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl} Hydrogen Phosphorothioate
Properties
Property | Value |
---|---|
Formula | C18H24N5O12PS |
IUPAC Name | 1-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-ium-3-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione |
Molecular Mass | 565.448 g·mol−1 |
Heat of Formation | -2223.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.35 ± 1.08 D |
Volume | 579.45 Å 3 |
Surface Area | 476.06 Å 2 |
HOMO Energy | -9.80 ± 0.55 eV |
LUMO Energy | -1.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | VZQLNJPTHATNOF-OXIRAOGTSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | C H O N P S |