Basic information
- CAS
132776-21-7- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=O- InChIKey
WZJLGLRFQDVYET-JAGXHNFQSA-N- Molecular formula
- C10H12F2N2O4
- Average molar mass
- 262.21 g/mol
- Monoisotopic mass
- 262.07651319
Names & identifiers
- Preferred name
- 1-(2,3-Dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine
- IUPAC
- 1-[(2R,3R,4R,5R)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- Aids002770
- Molecular formula
- C10H12F2N2O4
- Molecular weight
- 262.2100864
Names & synonyms
132776-21-71-(2,3-Dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymineCHEMBL2114953DTXSID001577801-(2,3-Dideoxy-2,3-difluoro-|A-D-arabinofuranosyl)Thymine1-(2,3-Dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)thymine1-(2,3-Dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[(2R,3R,4R,5R)-3,4-difluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dioneAids002770Aids-0027701-(2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)Thymine2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)-5-methyl-
Database identifiers
- CAS
132776-21-7- PubChem CID
- 453025
- DTXSID
DTXSID00157780- ChEMBL
CHEMBL2114953- Nikkaji
- J409.950H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 131 · 131-134 °C(Solv: ethanol (64-17-5))
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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