Identifikatoren & physikalische Daten
| CAS No. | 55254-34-7 |
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| Summenformel | C33H28Na2O16 |
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| Durchschnittliche Molmasse | 726,5 g/mol |
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| Monoisotopische Masse | 726,11727337 g/mol |
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| 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+] |
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| InChIKey | YIDLJQVKFQDISS-DSGKQNAUSA-L |
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| PubChem CID | 150708 |
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| EC No. | 259-554-9 |
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| DTXSID | DTXSID30203764 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 248 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 16 |
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| Frei drehbare Bindungen | 12 |
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| Schwere Atome | 51 |
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| Formalladung | 0 |
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| Komplexität | 1.200 |
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Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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