HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2'-Desoxy-5-iodcytidin
MADA · 2'-DEOXY-5-IODOCYTIDINE · IDC · FPL · LDP1 · LMNC · PRO1 · CDDC
Identifikatoren & physikalische Daten
| CAS No. | 611-53-0 |
|---|---|
| Summenformel | C9H12IN3O4 |
| Durchschnittliche Molmasse | 353,11 g/mol |
| Monoisotopische Masse | 352,98725 g/mol |
| SMILES | Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I |
| InChIKey | WEVJJMPVVFNAHZ-RRKCRQDMSA-N |
| PubChem CID | 65050 |
| ChEMBL | CHEMBL2104340 |
| ChEBI | CHEBI:135996 |
| EC No. | 210-269-8 |
| DTXSID | DTXSID50209985 |
| Lokaler Name | 2'-Desoxy-5-iodcytidin |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 108 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 398 |
| Schmelzpunkt | 180-183℃ |
| Siedepunkt | 522.1±60.0 °C(Predicted) |
| Dichte | 2.37±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO:100.0(Max Conc. mg/mL)283.19(Max Conc. mM)Slightly soluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 14.03±0.60(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1 |
| InChIKey | WEVJJMPVVFNAHZ-UHFFFAOYSA-N |
| SMILES | OC[C@H]1O[C@@H](N2C=C(I)C(N)=NC2=O)C[C@@H]1O |
| CAS Datenbank | 611-53-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29071212 |
| R-Sätze (R) | 22-63-42/43-36/37/38 |
| Gefahrensymbole | Xn,T |
| Sicherheitshinweise (S) | 23-26-36/37/39-24/25 |
Anwendungen & Verwendung
Verwenden
5-Iodo-2'-deoxycytidine is used in the construction of DNA oligomers to enable structural studies and photoactivated cross-linking. It is used in the synthesis of other modified nucleosides, such as 5-ethynylferrocenyl-2-deoxycytidine used in semiconductor electrodes and 10-(2-deoxyβ-D-ribofuranosyl)pyrimido[4,5:4,5]pyrimido[1,6-a]indole-6,9(7H)-dione (dCPPI).