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2'-Desoxyadenosin-5'-(tetrahydrogentriphosphat)
2'-Deoxyadenosine-5'-Triphosphate, Sodium Salt · 2’-datp · 5'-DATP · DATP, LI · deoxy-atp · 2'-dATP·2Na · dATP Sodium · DATP LI-SALT
Identifikatoren & physikalische Daten
| CAS No. | 1927-31-7 |
|---|---|
| Summenformel | C10H16N5O12P3 |
| Durchschnittliche Molmasse | 491,18 g/mol |
| Monoisotopische Masse | 491,00083084 g/mol |
| SMILES | Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1 |
| InChIKey | SUYVUBYJARFZHO-RRKCRQDMSA-N |
| PubChem CID | 15993 |
| ChEMBL | CHEMBL335538 |
| ChEBI | CHEBI:16284 |
| EC No. | 217-662-3 |
| DTXSID | DTXSID10895848 |
| Lokaler Name | 2'-Desoxyadenosin-5'-(tetrahydrogentriphosphat) |
Chemische & physikalische Eigenschaften
| XLogP | -4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 259 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 16 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 769 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 183.78 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]185.9 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]202 Ų [M+Na]+ |
| Siedepunkt | 913.3±75.0 °C(Predicted) |
| Dichte | 2.51±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | 0.97±0.50(Predicted) |
| Aggregatzustand | Powder |
| Farbe | colorless |
| pH | 7 |
| Löslichkeit | ≥ 50mg/mL in Water |
| InChIKey | VBEYWLZRUINVRS-KGXNBXOZSA-M |
| SMILES | C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)C[C@@H]1O |
| CAS Datenbank | 1927-31-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Gesundheitliche Auswirkungen | Chronically high levels of deoxyadenosine triphosphate are associated with Adenosine Deaminase Deficiency. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | AU7358800 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2'-Deoxyadenosine 5'-triphosphate is used as a substrate for DNA polymerases, reverse transcriptases.