1-(2'-Deoxy-beta-threopentofuranosyl)thymine
Grundinformationen
- CAS
16053-52-4- Standard-SMILES
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
IQFYYKKMVGJFEH-BWZBUEFSSA-N- Summenformel
- C10H14N2O5
- Durchschnittliche Molmasse
- 242,23 g/mol
- Monoisotopische Masse
- 242,09027155
Überblick
RN refers to D-isomer
Namen und Bezeichner
- Bevorzugter Name
- 1-(2'-Deoxy-beta-threopentofuranosyl)thymine
- IUPAC
- 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Englischer Name
- 1-(2'-deoxy-beta-threopentofuranosyl)thymine
- Summenformel
- C10H14N2O5
- Molmasse
- 242.23
Namen und Synonyme
16053-52-41-Dpft8NWA1GEX701-(2'-Deoxy-beta-D-threo-pentofuranosyl)thymineNSC-5267381-(2'-Deoxy-beta-threopentofuranosyl)thymine2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-threo-pentofuranosyl)-5-methyl-RefChem:739383'-beta-Thymidine1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneZidovudine EP Impurity F1-(2-Deoxy-beta-D-xylofuranosyl)-5-methyluracil
Weitere Namen anzeigen
3’-β-Thymidine3'-β-ThymidineThymidine 3''-EpimerZidovudine impurity MStavudine EP Impurity BStavudine impurity 2(B)Zidovudine impurity F (M)Silodosin Impurity 18 Monomer1-(2'-DEOXY-SS-THREOPENTOFURANOSYL)THYMINE
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-threo-pentofuranosyl)-5-methyl-I(2)-ThymidineThymidine B-D-threoT- B-D-threoUNII-8NWA1GEX70CHEMBL42372orb1908014SCHEMBL2922181
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 99,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 381
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 · 172-173 °C
- Dichte
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- Löslichkeit
- soluble in Dimethylformamide, Methanol
- Aggregatzustand
- Solid
- pka
- 9.55 · 9.55±0.10(Predicted)
- Farbe
- Off-White
Chemie und Industrie
Anwendungen
Verwenden3’-β-Thymidine (Stavudine EP Impurity B) is an intermediate in the production of fluorothymidine and phosphorylase derivatives (1,2). Stavudine is used as an antiviral agent. Reverse transcriptase inhibitor (3).
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