Basic information
- CAS
17199-43-8- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CF)O2)c(=O)[nH]c1=O- InChIKey
MYWVPKQWFIVGJZ-XLPZGREQSA-N- Molecular formula
- C10H13FN2O4
- Average molar mass
- 244.22 g/mol
- Monoisotopic mass
- 244.08593506
Names & identifiers
- Preferred name
- 5'-Deoxy-5'-fluorothymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 5'-deoxy-5'fluorothymidine
- Molecular formula
- C10H13FN2O4
- Molecular weight
- 244.22
Names & synonyms
5'-Deoxy-5'-fluorothymidine2',5'-Dideoxy-5'-fluorothymidine5'-Deoxy-5'fluorothymidine17199-43-8HO76X07FYZNSC-142845RefChem:100788Thymidine, 5'-deoxy-5'-fluoro-5'-Fluorodeoxythymidine3uxmNSC 142845UNII-HO76X07FYZ
Show more names
CHEMBL19566355'-FLUORO-5'-DEOXYTHYMIDINEND78221Q274510280DN
Database identifiers
- CAS
17199-43-8- PubChem CID
- 97675
- ChEMBL
CHEMBL1956635- UNII
- HO76X07FYZ
Properties
Computed structural properties
- XLogP
- -0.7
- 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
- 385
Physicochemical properties
- Melting point
- 204 · 204-206 °C
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
- FDA UNII
- 76 X07FYZ · HO76X07FYZ
Chemistry & industry
Suppliers3 total
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+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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