HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phosphokreatin
phosphocreatine · 2-(1-Methyl-3-phosphonoguanidino)acetic acid · Glycine, N-[imino(phosphonoamino)methyl]-N-methyl- · Neoton · phosphagen · n-phosphocreatine · CREATINE PHOSPHATE · N-Phosphorocreatine
Identifikatoren & physikalische Daten
| CAS No. | 67-07-2 |
|---|---|
| Summenformel | C4H10N3O5P |
| Durchschnittliche Molmasse | 211,11 g/mol |
| Monoisotopische Masse | 211,03580743 g/mol |
| SMILES | CN(CC(=O)O)C(N)=NP(=O)(O)O |
| InChIKey | DRBBFCLWYRJSJZ-UHFFFAOYSA-N |
| PubChem CID | 587 |
| Lokaler Name | Phosphokreatin |
Chemische & physikalische Eigenschaften
| XLogP | -2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 136 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 271 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 449.1±47.0 °C at 760 mmHg449.1±47.0 °C(Predicted) |
| Schmelzpunkt | 194-195 °C>175oC (dec.) |
| Physical Description | Solid |
| Collision Cross Section | 142.8 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]153.77 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]144.4 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]144.8 Ų [M+H]+ |
| Dichte | 1.83±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Water |
| pKa (Säurekonstante) | pKa 4.7± 0.01(H2O,t =25)(Approximate) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) |
| InChIKey | DRBBFCLWYRJSJZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CN(C(=N)NP(O)(O)=O)C |
| CAS Datenbank | 67-07-2(CAS DataBase Reference) |
| EPA chemische Informationen | Glycine, N-[imino(phosphonoamino)methyl]-N-methyl- (67-07-2) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|
Anwendungen & Verwendung
Verwenden
Phosphocreatine used in the synthesis of hydroxypatite nanorod/nanosheets. Phosphocreatine is used in the treatment of heart and brain ischemia.