Ethylenediaminetetraacetic acid | SBID = 951 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 156.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -5.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 10.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 211.7 | ||
| Sum Formula: | C10H16N2O8 | ||
| M / g/mol: | 292.24 | ||
| Complexity: | 316.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical host
- Name: Ethylenediaminetetraacetic acid
- Preferred Abbreviation: EDTA
- IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
- CAS: 60-00-4
- CID: 6049
- InChiKey: KCXVZYZYPLLWCC-UHFFFAOYSA-N
- InChi: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
- CanoSmiles: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
- IsoSmiles: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
