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2-keto-L-Gulonic acid
Ascorbic acid impurity C CRS · 2-KETO-L-GULONIC ACID HYDRATE · 2-Keto-L-culonic acid · 2-KETO-L-GULONIC ACID · 2-Keto-L-gulonic acid H2O (1:x) · 2-Keto-L-gulonic acid hydrate,90% · 2-Keto-L-gulonic acid hydrateE chem · L-xylo-2-Hexulosonicacid, hydrate (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 342385-52-8 |
|---|---|
| Summenformel | C6H10O7 |
| Durchschnittliche Molmasse | 194,14 g/mol |
| Monoisotopische Masse | 194,04265265 g/mol |
| SMILES | O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO |
| InChIKey | VBUYCZFBVCCYFD-NUNKFHFFSA-N |
| PubChem CID | 102424 |
| ChEBI | CHEBI:19543 |
| EC No. | 208-403-5 |
| DTXSID | DTXSID901031512 |
Chemische & physikalische Eigenschaften
| XLogP | -2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 135 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 201 |
| Schmelzpunkt | 159-162 °C |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Beige |
| Stabilität | Hygroscopic |
| InChI | InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)1H2/t2-,3+,4-/s3 |
| InChIKey | AJDGHHWRQQMMDK-KORJBYCENA-N |
| SMILES | [C@@H](O)(C(=O)C(=O)O)[C@H](O)[C@@H](O)CO.O |&1:0,7,9,r| |
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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2059 |
| Hazard Classes and Categories | Eye Irrit. 2 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
Anwendungen & Verwendung
Verwenden
L-xylo-2-Hexulosonic Acid Hydrate is the direct precursor of vitamin C (A786990); a physiological antioxidant and coenzyme for a number of hydroxylation reactions. Required for collagen synthesis and widely distributed in plants and animals. Inadequate intake results in deficiency syndromes such as scurvy. Also used as an antimicrobial and antioxidant in foodstuffs.