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2,5-Anhydro-D-mannitol
2,5-anhydromannitol · NSC 129241 · 2,5-ANHYDRO-D-MANNITOL · Sparsentan Impurity 51 · D-Mannitol, 2,5-anhydro- · 2,5-Anhydro-D-mannitol,99% · 2-Deoxy-β-D-fructofuranose · 2,5-Anhydro-D-mannitol ,98%
Identifikatoren & physikalische Daten
| CAS No. | 41107-82-8 |
|---|---|
| Summenformel | C6H12O5 |
| Durchschnittliche Molmasse | 164,16 g/mol |
| Monoisotopische Masse | 164,06847348 g/mol |
| SMILES | OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChIKey | MCHWWJLLPNDHGL-KVTDHHQDSA-N |
| PubChem CID | 73544 |
| EC No. | 255-221-7 |
| Lokaler Name | 2,5-Anhydro-D-mannitol |
Chemische & physikalische Eigenschaften
| XLogP | -1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,2 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 101-103 °C(lit.) |
| Siedepunkt | 211.61°C (rough estimate) |
| Dichte | 1.1738 (rough estimate) |
| Brechungsindex | 1.4230 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.26±0.70(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| InChIKey | MCHWWJLLPNDHGL-KVTDHHQDSA-N |
| SMILES | [C@H]1(O)[C@H](O)[C@@H](CO)O[C@@H]1CO |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2940000080 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
A carbohydrate metabolism regulator that has been shown to inhibit gluconeogenesis from lactate plus pyruvate and from substrates that enter the gluconeogenic pathway as triose phosphate