[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Methylsulfanyl-4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidin-3-Ium-7-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C12H17N3O8PS+ |
IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methylsulfanyl-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 394.317 g·mol−1 |
Heat of Formation | -1514.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.47 ± 1.08 D |
Volume | 400.1 Å 3 |
Surface Area | 350.59 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | 2.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | XSBWXPOJJHPCNB-KCGFPETGSA-P |
QR Code | Generate QR Code |
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Elements | C H O N P S |