Uramildiacetic acid | SBID = 958 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 153.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -4.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 175.5 | ||
| Sum Formula: | C8H9N3O7 | ||
| M / g/mol: | 259.17 | ||
| Complexity: | 396.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: typical host
- Name: Uramildiacetic acid
- Preferred Abbreviation: Uramildiacetic acid
- IUPAC Name: 2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
- CAS: 13055-06-6
- CID: 83088
- InChiKey: QDHGQJQZPJPKJK-UHFFFAOYSA-N
- InChi: InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
- CanoSmiles: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O
- IsoSmiles: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O
