6-Thio-5'-xanthylic acid
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: TXMP|6-Thioxanthine 5'-monophosphate|5'-Xanthylic acid, 6-thio-|6-Thio-5'-xanthylic acid|6-Thiosine-5'-monophosphate|6-thioxanthosine monophosphate|6-Thioxanthosine 5 -monophosphate|3,6-Acridinediamine, sulfate (1:1)|6-Thioxanthosine 5 -phosphoric acid|J2.804.101B|Xanthosine, 6-thio-, 5'-(dihydrogen phosphate)|[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate|9-(5-O-Phosphono-beta-D-ribofuranosyl)-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one|(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanyl-9H-purin-9-yl)oxolan-2-yl)methoxy)phosphonic acid|{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid|{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-2,3,6,9-tetrahydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
| Molecular Formula | C10H13N4O8PS |
|---|---|
| Molecular Weight | 380.01917 g/mol |
| LogP | -1.48931 |
| Topological Polar Surface Area | 182.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.01917 |
| Monoisotopic Mass | 380.01917 |
| Heavy Atoms | 24 |
| Complexity | 917.4543 |
Chemical Identifiers
| CAS Number | 3237-53-4 |
|---|---|
| SMILES | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S |
Product Overview
6-Thio-5'-xanthylic acid (CAS 3237-53-4), with molecular formula C10H13N4O8PS and molecular weight 380.01917 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate.