(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]-2-Methylsulfanyl-Purine-1,3,7-Triium-6-Yl]Carbamoylamino]-3-Hydroxy-Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C16H25N6O11PS |
IUPAC Name | (2s,3r)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-purine-1,3,7-triium-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
Molecular Mass | 540.442 g·mol−1 |
Heat of Formation | -2077.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.54 ± 1.08 D |
Volume | 553.81 Å 3 |
Surface Area | 473.92 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | 1.98 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZABAHUSISCOGLA-DWVDDHQFSA-O |
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Elements | C H O N P S |