sodium;2,6-dioxo-3,7-dihydropurin-8-olate | SBID = 2740 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 110.0 | ||
| Ertl TPSA/Å2: | 117.46 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 0.96 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C5H3N4NaO3 | ||
| M / g/mol: | 190.09 | ||
| Complexity: | 248.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: sodium;2,6-dioxo-3,7-dihydropurin-8-olate
- Preferred Abbreviation: Sodium Urate - Uric acid sodium salt
- IUPAC Name: sodium;2,6-dioxo-3,7-dihydropurin-8-olate
- CAS: 1198-77-2
- CID: 23690430
- InChiKey: NAFSTSRULRIERK-UHFFFAOYSA-M
- InChi: InChI=1S/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1/p-1
- CanoSmiles: C12=C(NC(=O)NC1=O)N=C(N2)[O-].[Na+]
- IsoSmiles: C12=C(NC(=O)NC1=O)N=C(N2)[O-].[Na+]
