[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-5H-Thiazol-3-Ium-5-Id-2-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C20H29N7O13P2S |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[(2r,3s,4r,5r)-5-(4-carbamoyl-5h-thiazol-3-ium-5-id-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid |
Molecular Mass | 669.496 g·mol−1 |
Heat of Formation | -2396.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.57 ± 1.08 D |
Volume | 685.37 Å 3 |
Surface Area | 567.77 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | -1.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | PLALDLSPVNQBJG-HVIRUEHBSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |