HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2'-Desoxyuridin-5'-monophosphat
dUMP·H2 · 2'-deoxyuridylic acid · 2'-Deoxy-5'-uridylic acid · 5'-Uridylic acid, 2'-deoxy- · 2'-Deoxyuridine 5'-phosphate · 2''-Deoxyuridine-5''-monophosphoric acid · 2'-Deoxyuridine-5'-monophosphate free acid · [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid
Identifikatoren & physikalische Daten
| CAS No. | 964-26-1 |
|---|---|
| Summenformel | C9H13N2O8P |
| Durchschnittliche Molmasse | 308,18 g/mol |
| Monoisotopische Masse | 308,04095237 g/mol |
| SMILES | O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1 |
| InChIKey | JSRLJPSBLDHEIO-SHYZEUOFSA-N |
| PubChem CID | 65063 |
| ChEMBL | CHEMBL211312 |
| ChEBI | CHEBI:17622 |
| EC No. | 213-518-9 |
| DTXSID | DTXSID20242223 |
| Lokaler Name | 2'-Desoxyuridin-5'-monophosphat |
Chemische & physikalische Eigenschaften
| XLogP | -3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 146 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 488 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 167.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]168.1 Ų [M+Na]+ |
| Dichte | 1.742±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 1.86±0.10(Predicted) |