9-N-Ribofuranosyluric acid 5'-monophosphate
[(2R,3S,4R)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 9-Rump|5'-Xanthylic acid, 7,8-dihydro-8-oxo-|9-N-Ribofuranosyluric acid 5'-monophosphate|9-N-ribofuranosyluricacid5'-monophosphate|[(2R,3S,4R)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate|9-(5-O-Phosphonopentofuranosyl)-9H-purine-2,6,8-triol|9-(5-O-Phosphono-D-ribofuranosyl)-9H-purine-2,6,8-triol
CAS: 21082-31-5
| Molecular Formula | C10H13N4O10P |
|---|---|
| Molecular Weight | 380.03693 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.03693 |
| Monoisotopic Mass | 380.03693 |
| Heavy Atoms | 25 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 21082-31-5 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@H](C(O1)N2C3=C(C(=O)NC(=O)N3)NC2=O)O)O)OP(=O)(O)O |
| InChIKey | YWNXQSHHYSTFPH-BKKZJBRMSA-N |
Product Overview
9-N-Ribofuranosyluric acid 5'-monophosphate (CAS 21082-31-5), with molecular formula C10H13N4O10P and molecular weight 380.03693 g/mol. IUPAC: [(2R,3S,4R)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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