1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid
Also Known As: EINECS 216-805-7|1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid|3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid|1-(7-Theophyllinyl)-3-propanesulfonic acid|1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid|7h-purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-|1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-(1-propanesulfonic acid)|3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propane-1-sulfonic acid|3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propane-1-sulfonic acid|7H-Purine-7-propanesulfonicacid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
| Molecular Formula | C10H14N4O5S |
|---|---|
| Molecular Weight | 302.06848 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 116.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06848 |
| Heavy Atoms | 20 |
| Complexity | 873.4 |
Chemical Identifiers
| CAS Number | 1672-28-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)O |
Product Overview
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid (CAS 1672-28-2), with molecular formula C10H14N4O5S and molecular weight 302.06848 g/mol. IUPAC: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid.
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