2-thio-FAD
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Also Known As: 2-Thio-fad|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate|Riboflavin-5'-(trihydrogen diphosphate), 2-thio-, 5'-5'-ester with adenosine
| Molecular Formula | C27H33N9O14P2S |
|---|---|
| Molecular Weight | 801.1343 g/mol |
| LogP | -1.05467 |
| Topological Polar Surface Area | 345.86 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 801.1343 |
| Monoisotopic Mass | 801.1343 |
| Heavy Atoms | 53 |
| Complexity | 2360.0327 |
Chemical Identifiers
| CAS Number | 43203-75-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=S)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
Product Overview
2-thio-FAD (CAS 43203-75-4), with molecular formula C27H33N9O14P2S and molecular weight 801.1343 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.