Identifikatoren & physikalische Daten
| CAS No. | 28347-45-7 |
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| Summenformel | C12H15NO8 |
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| Durchschnittliche Molmasse | 301,25 g/mol |
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| Monoisotopische Masse | 301,07976644 g/mol |
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| SMILES | O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
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| InChIKey | KUWPCJHYPSUOFW-YBXAARCKSA-N |
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| PubChem CID | 96647 |
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| ChEMBL | CHEMBL1229648 |
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| ChEBI | CHEBI:90144 |
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| EC No. | 206-716-1 |
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| DTXSID | DTXSID10861907 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
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| Polarare Oberfläche (TPSA) | 145 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 362 |
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| Stoffklassen | Other Uses -> Biochemical Research |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Löslichkeit | >45.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Physical Description | Beige solid[Sigma-Aldrich MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: .beta.-D-Galactopyranoside, 2-nitrophenyl.beta.-D-Galactopyranoside, 2-nitrophenyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (20%) |
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