HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2'-Anhydro-1-beta-arabinofuranosylthymine
TK-112690 · O-2,2'-cyclo-5-methyluridine · 2,2`-CyclothyMidine · 2,2'-Anhydro-5-Me-U · 2,2'-Anhydro-5-methy · 2,2'-Anhydrothimidine · 5-Me-2, 2'-Anhydro-rU · 2,2'-Anhydrothymidine
Identifikatoren & physikalische Daten
| CAS No. | 22423-26-3 |
|---|---|
| Summenformel | C10H12N2O5 |
| Durchschnittliche Molmasse | 240,21 g/mol |
| Monoisotopische Masse | 240,07462149 g/mol |
| SMILES | Cc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12 |
| InChIKey | WLLOAUCNUMYOQI-JAGXHNFQSA-N |
| PubChem CID | 168045 |
| ChEMBL | CHEMBL3251296 |
| EC No. | 898-613-9 |
| DTXSID | DTXSID90945097 |
Chemische & physikalische Eigenschaften
| XLogP | -2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 432 |
| Schmelzpunkt | 217.0 to 221.0 °C |
| Siedepunkt | 452.0±55.0 °C(Predicted) |
| Dichte | 1.88±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.56±0.60(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1 |
| InChIKey | WLLOAUCNUMYOQI-JAGXHNFQSA-N |
| SMILES | C12O[C@@]3([H])[C@H](O)[C@@H](CO)O[C@@]3([H])N1C=C(C)C(=O)N=2 |
| CAS Datenbank | 22423-26-3(CAS DataBase Reference) |
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. 2A (100%)STOT SE 3 (100%) |
| Zollcode | 2940.00.6000 |
Anwendungen & Verwendung
Verwenden
2,2'-Anhydro-5-methyluridine serves as a precursor to synthesize 5'-O-(4,4'-dimethoxytrityl)-2,2'-anhydro thymidine by reaction with 4,4'-dimethoxytrityl chloride in anhydrous pyridine[6].