HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5'-O-tert-Butyldimethylsilylthymidine
5'-TBDMS dT · 5′-O-TBS dT · 5'-O-TBDMS-dT · 5'-O-TBDMS-thymidine · 5’-O-TBDMS-thymidine · 5'-O-TBDMSoxy-thymidine · 5'-O-(t-Butyldimethylsilyl)thymidine · 5'-O-tert-Butyldimethylsilyl-thymidine
Identifikatoren & physikalische Daten
| CAS No. | 40733-28-6 |
|---|---|
| Summenformel | C16H28N2O5Si |
| Durchschnittliche Molmasse | 356,49 g/mol |
| Monoisotopische Masse | 356,17674853 g/mol |
| SMILES | Cc1cn([C@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O |
| InChIKey | IJWIJLIIOKZJMS-YNEHKIRRSA-N |
| PubChem CID | 10251259 |
| EC No. | 807-001-2 |
| DTXSID | DTXSID401239733 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 88,1 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 555 |
| Schmelzpunkt | 198 |
| Dichte | 1.148±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 4°C, protect from light |
| Löslichkeit | DMSO : 100 mg/mL (280.51 mMNeed ultrasonic) |
| pKa (Säurekonstante) | 9.55±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | White |
| InChI | InChI=1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(19)12(23-13)9-22-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1 |
| InChIKey | IJWIJLIIOKZJMS-YNEHKIRRSA-N |
| SMILES | O([Si](C(C)(C)C)(C)C)C[C@H]1O[C@@H](N2C=C(C)C(=O)NC2=O)C[C@@H]1O |
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. 2 (100%)STOT SE 3 (100%) |
| Zollcode | 2934100090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
5'-O-(tert-Butyldimethylsilyl)thymidine is used as pharmaceutical intermediate.