| Pubchem ID | 3305 |
|---|---|
| CAS | 2809-21-4 |
| IUPAC name | (1-hydroxy-1-phosphonoethyl)phosphonic acid |
| Synonyms | Etidronate|1-Hydroxyethylidene-1,1-diphosphonic acid|EHDP|Etidronsaeure|Acetodiphosphonic acid|Hydroxyethanediphosphonic acid|Turpinal SL |
| Categories | Boiler water additive |
| SMILES | CC(O)(P(=O)(O)O)P(=O)(O)O |
| InCheykey | InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 206.027 | 5 | 7 | 2 | 135.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |