HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-O-β-D-Galaktopyranosyl-D-gluconsure
LACTOBIONIC ACID POWDER · Lactose acid · (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid · Lactobionate · 4-O-BETA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID · LactobionS · actobionic acid · LACTOBIONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 96-82-2 |
|---|---|
| Summenformel | C12H22O12 |
| Durchschnittliche Molmasse | 358,3 g/mol |
| Monoisotopische Masse | 358,11112613 g/mol |
| SMILES | O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO |
| InChIKey | JYTUSYBCFIZPBE-AMTLMPIISA-N |
| PubChem CID | 7314 |
| ChEMBL | CHEMBL3039602 |
| ChEBI | CHEBI:55481 |
| EC No. | 202-538-3 |
| DTXSID | DTXSID3048861 |
| Lokaler Name | 4-O-β-D-Galaktopyranosyl-D-gluconsure |
Chemische & physikalische Eigenschaften
| XLogP | -5 |
|---|---|
| Polarare Oberfläche (TPSA) | 218 |
| H-Brücken-Donoren | 9 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 405 |
| Collision Cross Section | 168.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 113-118 °C(lit.) |
| Siedepunkt | 410.75°C (rough estimate) |
| Dichte | 1.4662 (rough estimate) |
| Brechungsindex | 26 ° (C=8.8, H2O) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | 10 g/100 mL |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.28±0.35(Predicted) |
| Farbe | White to Off-white |
| Biologische Quelle | synthetic |
| Merck | 5342 |
| BRN | 95054 |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1 |
| InChIKey | JYTUSYBCFIZPBE-AMTLMPIISA-N |
| SMILES | OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O |
| LogP (Verteilungskoeffizient) | -3.848 (est) |
| CAS Datenbank | 96-82-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 92.3% (24 of 26) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 24 of 26 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 26 reports by companies from 4 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 24 of 26 reports by companies.There are 2 notifications provided by 2 of 26 reports by companies with hazard statement code(s).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 | D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 29400000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Lactobionic acid is mainly used in preservation solutions for organ transplantation. It is used to produce erythromycine lactobionate.