HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
β-D-Galaktosepentaacetat
(2S,3R,4S,5S,6R)-6-(acetoxyMethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate · β-D-galactose pentaacetate · 1,2,3,4,6-Penta-O-acetyl-β-D-galactopyranose · beta-D-GaL · actose pentaacetate · beta-D-Galactose pen · á-d-galactose pentaacetate · PENTAACETYL-SS-D-GALACTOSE
Identifikatoren & physikalische Daten
| CAS No. | 4163-60-4 |
|---|---|
| Summenformel | C16H22O11 |
| Durchschnittliche Molmasse | 390,34 g/mol |
| Monoisotopische Masse | 390,11621152 g/mol |
| SMILES | CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
| InChIKey | LPTITAGPBXDDGR-LYYZXLFJSA-N |
| PubChem CID | 94752 |
| EC No. | 224-008-0 |
| DTXSID | DTXSID20883736 |
| Lokaler Name | β-D-Galaktosepentaacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 141 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 599 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 143-144 °C(lit.) |
| Siedepunkt | 435.58°C (rough estimate) |
| Dichte | 1.3984 (rough estimate) |
| Brechungsindex | 23.5 ° (C=2, MeOH) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | methanol: 50 mg/mL, clearSoluble in methanol (50 mg/ml), chloroform, and water. |
| Aggregatzustand | powder |
| Farbe | White |
| BRN | 98853 |
| InChI | InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/s3 |
| InChIKey | LPTITAGPBXDDGR-FTTYHUIRNA-N |
| SMILES | [C@@H]1(OC(=O)C)[C@@H](OC(=O)C)[C@@H](O[C@H](COC(=O)C)[C@@H]1OC(=O)C)OC(=O)C |&1:0,5,10,12,18,r| |
| CAS Datenbank | 4163-60-4(CAS DataBase Reference) |
| EPA chemische Informationen | .beta.-D-Galactopyranose, pentaacetate (4163-60-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance..beta.-D-Galactopyranose, pentaacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29400000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37/39-27-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used as a pharmaceutical intermediates.