Thiazofurin-adenine dinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Thiazofurin-adenine dinucleotide|Tiazofurin - adenine dinucleotide|Adenosine 5'-(trihydrogen diphosphate), 5'-3'-ester with 2-beta-D-ribofuranosyl-4-thiazolecarboxamide|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C19H25N7O14P2S |
|---|---|
| Molecular Weight | 669.06555 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 356.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 669.06555 |
| Monoisotopic Mass | 669.06555 |
| Heavy Atoms | 43 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 95754-62-4 |
|---|---|
| SMILES | C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)C(=O)N |
| InChIKey | NAIGQBMYPOZFBM-QZTLEVGFSA-N |
Product Overview
Thiazofurin-adenine dinucleotide (CAS 95754-62-4), with molecular formula C19H25N7O14P2S and molecular weight 669.06555 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
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