HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-O-isopropylidene-alpha-D-xylofuranose
1,2-O-Isopropylidene-α-D-xylofuranose · Xylose monoacetone · Monoacetone-D-xylose · 1 2-O-ISOPROPYLIDENE-ALPHA-D- · -D-xylofuranose · 1,2-O-Isopropylidene-α-DO-Isopropylidene-α1,2-O-Isoproplyidene-a-d-xylofuranose · 1,2-O-Isopropylidene-alpha-D-xylofuran · 1,2-O-isopropylidene-α-D-xylopfuranose
Identifikatoren & physikalische Daten
| CAS No. | 20031-21-4 |
|---|---|
| Summenformel | C8H14O5 |
| Durchschnittliche Molmasse | 190,19 g/mol |
| Monoisotopische Masse | 190,08412355 g/mol |
| SMILES | CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1 |
| InChIKey | JAUQZVBVVJJRKM-XZBKPIIZSA-N |
| PubChem CID | 88338 |
| ChEMBL | CHEMBL499271 |
| EC No. | 606-426-9 |
| DTXSID | DTXSID40885111 |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| Schmelzpunkt | 69-71 °C(lit.) |
| Siedepunkt | 112-114 °C0.06 mm Hg(lit.) |
| Dichte | 1.2422 (rough estimate) |
| Brechungsindex | -19 ° (C=1, H2O) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| pKa (Säurekonstante) | 13.23±0.60(Predicted) |
| Aggregatzustand | Waxy Solid or Coarse Crystals and Chunks |
| Farbe | White to Off-white |
| BRN | 81520 |
| InChI | 1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1 |
| InChIKey | JAUQZVBVVJJRKM-VZFHVOOUSA-N |
| SMILES | CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1 |
| CAS Datenbank | 20031-21-4(CAS DataBase Reference) |
| EPA chemische Informationen | .alpha.-D-Xylofuranose, 1,2-O-(1-methylethylidene)- (20031-21-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2-O-Isopropylidene-α-D-xylofuranose is an intermediate used in the synthesis of C-glycosides ribosyl-acid and ribosyl-aldehyde.