HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L-(+)-β-Mercaptovalin
H-PEN-OH · l-valin · L-Pen-OH · 3-MERCAPTO-L-VALINE · 3,3-DIMETHYL-L-CYSTEINE · (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid · L-(+)-B2 · NSC 241261
Identifikatoren & physikalische Daten
| CAS No. | 1113-41-3 |
|---|---|
| Summenformel | C5H11NO2S |
| Durchschnittliche Molmasse | 149,21 g/mol |
| Monoisotopische Masse | 149,05104959 g/mol |
| SMILES | CC(C)(S)[C@H](N)C(=O)O |
| InChIKey | VVNCNSJFMMFHPL-GSVOUGTGSA-N |
| PubChem CID | 92863 |
| ChEMBL | CHEMBL207222 |
| ChEBI | CHEBI:50869 |
| EC No. | 214-203-9 |
| DTXSID | DTXSID301317136 |
| Lokaler Name | L-(+)-β-Mercaptovalin |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,3 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 124 |
| Schmelzpunkt | 206 °C (dec.)(lit.) |
| Siedepunkt | 251.8±35.0 °C(Predicted) |
| Dichte | 1.113 (estimate) |
| Brechungsindex | 63 ° (C=1, 1mol/L NaOH) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Aqueous Base (Sparingly), DMSO (Slightly, Heated), Water (Slightly) |
| pKa (Säurekonstante) | 2.13±0.12(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to almost white |
| Merck | 14,7088 |
| BRN | 1722374 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1 |
| InChIKey | VVNCNSJFMMFHPL-GSVOUGTGSA-N |
| SMILES | CC(C)(S)[C@H](N)C(O)=O |
| CAS Datenbank | 1113-41-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29309090 |
| RTECS-Nr. | YV9445500 |
| R-Sätze (R) | 36/37/38-40-20/21/22 |
| Toxizität | LD50 i.p. in rats: 350 mg/kg (Jaffe) |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
As a Penicillin metabolite, L-Penicillamine can be used in the treatment of Wilson’s disease, Cystinuria, Scleroderma and arsenic poisoning.