HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Oxo-D-prolin
(R)-5-OXOPYRROLIDINE-2-CARBOXYLIC ACID · D-PYR-OH · 5-OXO-D-PROLINE · H-D-PYR-OH · D-5-Oxoproline · D-pyroglutamate · d-5-pyrrolidone-2-carboxylic acid · (2R)-5-oxopyrrolidine-2-carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 4042-36-8 |
|---|---|
| Summenformel | C5H7NO3 |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,04259308 g/mol |
| SMILES | O=C1CC[C@H](C(=O)O)N1 |
| InChIKey | ODHCTXKNWHHXJC-GSVOUGTGSA-N |
| PubChem CID | 439685 |
| ChEMBL | CHEMBL1235172 |
| ChEBI | CHEBI:16924 |
| EC No. | 223-735-0 |
| DTXSID | DTXSID10193432 |
| Lokaler Name | 5-Oxo-D-prolin |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 154 |
| Kosmetika | Personal care product |
| Collision Cross Section | 124.6 Ų [M-H]- |
| Schmelzpunkt | 155-162 °C |
| Siedepunkt | 239.15°C (rough estimate) |
| Dichte | 1.3816 (rough estimate) |
| Brechungsindex | 10 ° (C=5, H2O) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Dimethylformamide, DMSO (Slightly), Methanol (Slightly), Watersoluble |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.48±0.20(Predicted) |
| Farbe | Off-White to Light Beige |
| Merck | 14,8001 |
| BRN | 82133 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 |
| InChIKey | ODHCTXKNWHHXJC-GSVOUGTGSA-N |
| SMILES | OC(=O)[C@H]1CCC(=O)N1 |
| CAS Datenbank | 4042-36-8(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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | D-Proline, 5-oxo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
D-Pyroglutamic acid, also known as 5-oxo-D-proline, is a metabolite of D-glutamate. It is formed from D-glutamate by D-glutamate cyclase. The levels of D-pyroglutamic acid are increased in the urine of patients with nascent metabolic syndrome and the plasma of patients with end-stage renal disease.