Basic information
- CAS
122757-54-4- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)C=C2F)c(=O)[nH]c1=O- InChIKey
VVHNXFRGXWUNCK-IMTBSYHQSA-N- Molecular formula
- C10H11FN2O4
- Average molar mass
- 242.2 g/mol
- Monoisotopic mass
- 242.070285
Overview
has antiviral activity against HIV-1; structure given in first source
Names & identifiers
- Preferred name
- 3'-Deoxy-2',3'-didehydro-2'fluorothymidine
- IUPAC
- 1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 3'-deoxy-2',3'-didehydro-2'fluorothymidine
- Molecular formula
- C10H11FN2O4
- Molecular weight
- 242.2
Names & synonyms
122757-54-43-Ddft3'-Deoxy-2',3'-didehydro-2'fluorothymidineRefChem:90353CHEMBL1256387SCHEMBL305058582'-FD4TDTXSID90924266Uridine, 2',3'-didehydro-2',3'-dideoxy-2'-fluoro-5-methyl-FD870502',3'-Didehydro-2',3'-dideoxy-2'-fluoro-5-methyluridine1-(3-Deoxy-2,3-didehydro-2-fluoro-.beta.-D-glycero-2-enopentofuranosyl)thymine
Show more names
1-(2,3-Dideoxy-2-fluoro-β-D-glycero-penta-2-enofuranosyl)thymine
1-[(2R,5S)-3-Fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[3-Fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-hydroxy-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
122757-54-4- PubChem CID
- 72283
- DTXSID
DTXSID90924266- ChEMBL
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Suppliers1 total
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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