1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate
bis(2-hydroxynonadecane-1,2,3-tricarboxylic acid);trihydrate
Also Known As: Agaricic acid sesquihydrate|1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate|2-hydroxynonadecane-1,2,3-tricarboxylic Acid Trihydrate|3-c-carboxy-2,4-dideoxy-2-hexadecylpentaric acid hydrate(2:3)|3-C-Carboxy-2,4-dideoxy-2-hexadecylpentaric acid--water (2/3)
CAS: 6636-80-2
| Molecular Formula | C44H86O17 |
|---|---|
| Molecular Weight | 886.5865 g/mol |
| LogP | 7.2239 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 40 |
| Exact Mass | 886.5865 |
| Monoisotopic Mass | 886.5865 |
| Heavy Atoms | 61 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 6636-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O |
| InChIKey | NLHBFRGAFQAFLM-UHFFFAOYSA-N |
Product Overview
1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate (CAS 6636-80-2), with molecular formula C44H86O17 and molecular weight 886.5865 g/mol. IUPAC: bis(2-hydroxynonadecane-1,2,3-tricarboxylic acid);trihydrate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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