[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(4-Carbamoyl-5H-Thiazol-3-Ium-5-Id-2-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H25N7O14P2S |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(4-carbamoyl-5h-thiazol-3-ium-5-id-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 669.453 g·mol−1 |
Heat of Formation | -2748.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.04 ± 1.08 D |
Volume | 667.96 Å 3 |
Surface Area | 458.82 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -1.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | XFFJFYNWKGSNFJ-QZTLEVGFSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |