Identifiers & Physical Properties
| CAS No. | 55254-34-7 |
|---|
| Molecular formula | C33H28Na2O16 |
|---|
| Average molar mass | 726.5 g/mol |
|---|
| Monoisotopic mass | 726.11727337 g/mol |
|---|
| SMILES | COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4OC(=O)CCC(=O)[O-])ccc3O[C@@H]2COC(=O)CCC(=O)[O-])ccc1O.[Na+].[Na+] |
|---|
| InChIKey | YIDLJQVKFQDISS-DSGKQNAUSA-L |
|---|
| PubChem CID | 150708 |
|---|
| EC No. | 259-554-9 |
|---|
| DTXSID | DTXSID30203764 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 248 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 16 |
|---|
| Rotatable bonds | 12 |
|---|
| Heavy atoms | 51 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,200 |
|---|
Safety & Regulations
| GHS classification | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
