(2R,3R,4S,5R)-2-[6-[3-[[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-Pyridin-1-Ium-5-Id-4-Yl]Methylamino]Propylsulfanylmethylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C22H31N7O6S |
IUPAC Name | (2r,3r,4s,5r)-2-[6-[3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-5-id-4-yl]methylamino]propylsulfanylmethylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 521.590 g·mol−1 |
Heat of Formation | -826.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.99 ± 1.08 D |
Volume | 591.13 Å 3 |
Surface Area | 405.15 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | 2.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | CFVVAYMSRBEUKC-CIVUBGFFSA-O |
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Elements | H S C O N |