Basic information
- CAS
221272-62-4- Standard SMILES
C#C[C@]1(CO)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O- InChIKey
LLKVXAAJAGWZGF-YGOYTEALSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- Thymidine, 4'-C-ethynyl-
- IUPAC
- 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 4'-Ethynylthymidine
- Molecular formula
- C12H14N2O5
- Molecular weight
- 266.25
Names & synonyms
Thymidine, 4'-C-ethynyl-221272-62-44'-alpha-EthynylthymidineDTXSID40176652RefChem:385610DTXCID10991434'-ethynylthymidine1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione4'-.alpha.-EthynylthymidineSCHEMBL913904CHEMBL2368078SCHEMBL24695902
Show more names
4'-C-Ethynylthymidine
NE1709151-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
221272-62-4- PubChem CID
- 451503
- DTXSID
DTXSID40176652- ChEMBL
CHEMBL2368078- Nikkaji
- J1.445.852B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
Chemistry & industry
Applications
Uses4''-C-Ethynylthymidine, one of 4’-Ethynyl nucleoside analogs, was designed, synthesized and identified as a potent inhibitor of multidrug-resistant human immunodeficiency virus variants in vitro.
Suppliers9 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
Related reactions
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Compound notes
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