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[S-(R*,R*)]-4,4'-Dithiobis[2-aminobutter]sure
H-HoCys-OH · (2S,2'S)-4,4'-Disulfanediylbis(2-aMinobutanoic acid) · (H-HCY-OH)2 · (H-Hcy-OH)? · H-L-HCystine · (H-HOCYS-OH)2 · H-L-HOCYSTINE · (H-Hcys-OH) 2
![Molekülstruktur von [S-(R*,R*)]-4,4'-Dithiobis[2-aminobutter]sure](/img/chemical/439579.png)
Identifikatoren & physikalische Daten
| CAS No. | 626-72-2 |
|---|---|
| Summenformel | C8H16N2O4S2 |
| Durchschnittliche Molmasse | 268,4 g/mol |
| Monoisotopische Masse | 268,05514934 g/mol |
| SMILES | N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O |
| InChIKey | ZTVZLYBCZNMWCF-WDSKDSINSA-N |
| PubChem CID | 439579 |
| ChEBI | CHEBI:141698 |
| EC No. | 210-962-5 |
| DTXSID | DTXSID101014691 |
| Lokaler Name | [S-(R*,R*)]-4,4'-Dithiobis[2-aminobutter]sure |
Chemische & physikalische Eigenschaften
| XLogP | -5,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 177 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 216 |
| Schmelzpunkt | 281-284 °C (dec.)(lit.) |
| Siedepunkt | 507.6±50.0 °C(Predicted) |
| Dichte | 1.443±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | H2O : 5 mg/mL (18.63 mMultrasonic and adjust pH to 3 with H2O)DMSO : 1 mg/mL (3.73 mMultrasonic and adjust pH to 5 with HCl) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.90±0.10(Predicted) |
| Farbe | Off-white to light yellow |
| BRN | 1728583 |
| Hauptanwendungen | cell analysispeptide synthesis |
| InChI | InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 |
| InChIKey | ZTVZLYBCZNMWCF-WDSKDSINSA-N |
| SMILES | S(CC[C@H](N)C(O)=O)SCC[C@H](N)C(O)=O |
| CAS Datenbank | 626-72-2(CAS DataBase Reference) |
| EPA chemische Informationen | L-Homocystine (626-72-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29309090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Increased levels lead to hyperhomocysteinemia; a cardiovascular risk factor in prediction of coronary heart disease as well as being associated with congenital birth defects, pregnancy complications and cancer.