Basic information
- 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- Molecular formula
- C10H14N2O5
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.09027155
Overview
RN refers to D-isomer
Names & identifiers
- Preferred name
- 1-(2'-Deoxy-beta-threopentofuranosyl)thymine
- IUPAC
- 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 1-(2'-deoxy-beta-threopentofuranosyl)thymine
- Molecular formula
- C10H14N2O5
- Molecular weight
- 242.23
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- solubility
- soluble in Dimethylformamide, Methanol
- form
- Solid
- pka
- 9.55 · 9.55±0.10(Predicted)
- color
- Off-White
- FDA UNII
- 8 NWA1GEX70 · 8NWA1GEX70
Chemistry & industry
Applications
Uses3’-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).
Suppliers49 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司
Related reactions
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Compound notes
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