(2R,3R,4S,5R)-2-[2-Amino-6-[(2-Hydroxy-5-Nitro-Phenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C17H18N6O7S |
IUPAC Name | (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 450.426 g·mol−1 |
Heat of Formation | -547.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.01 ± 1.08 D |
Volume | 474.8 Å 3 |
Surface Area | 418.15 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | -1.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | VPUVVPQUAGPPFY-XNIJJKJLSA-O |
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Elements | H S C O N |