HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cytidin-5'-(dihydrogenphosphat)
DCMP · dCMP.H2 · dCMP(2-) · Deoxy-CMP · DEOXYCYTIDYLIC ACID · DESOXYCYTIDYLIC ACID · 2'-Deoxycytidylic acid · 2'-Deoxy-5'-cytidylic acid
Identifikatoren & physikalische Daten
| CAS No. | 1032-65-1 |
|---|---|
| Summenformel | C9H14N3O7P |
| Durchschnittliche Molmasse | 307,2 g/mol |
| Monoisotopische Masse | 307,05693642 g/mol |
| SMILES | Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1 |
| InChIKey | NCMVOABPESMRCP-SHYZEUOFSA-N |
| PubChem CID | 13945 |
| ChEMBL | CHEMBL374699 |
| ChEBI | CHEBI:15918 |
| EC No. | 213-849-9 |
| DTXSID | DTXSID20908251 |
| Lokaler Name | Cytidin-5'-(dihydrogenphosphat) |
Chemische & physikalische Eigenschaften
| XLogP | -3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 155 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 502 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 162.4 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]166.62 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]164 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]161 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine]164.3 Ų [M+Na]+ |
| Schmelzpunkt | 169-172 °C (dec.) |
| Siedepunkt | 633.8±65.0 °C(Predicted) |
| Dichte | 2.01±0.1 g/cm3(Predicted) |
| Brechungsindex | 37 ° (C=1, H2O) |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: 10 mg/mL, clear, colorlessSoluble in water. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.86±0.10(Predicted) |
| Farbe | White |
| Biologische Quelle | synthetic |
| BRN | 41062 |
| InChI | InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | NCMVOABPESMRCP-SHYZEUOFSA-N |
| SMILES | P(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)(O)(O)=O |
| CAS Datenbank | 1032-65-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A phosphorylated metabolite of the deoxyribonucleoside 2’Deoxycytidine. A constituent of Deoxyribonucleic acid. Studies show that it increases influenza virus antigen-induced immune cell proliferatio n.