Basic information
- CAS
132776-22-8- Standard SMILES
Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=S- InChIKey
LMKYYYQFAXLDEJ-GUIRCDHDSA-N- Molecular formula
- C17H16F2N2O4S
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.07988449
Names & identifiers
- Preferred name
- Benzoyl thiothymidine
- IUPAC
- [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
Benzoyl thiothymidine132776-22-81-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-4-thiothymidineDTXSID601577811-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)-4-thiothymidine[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Database identifiers
- CAS
132776-22-8- PubChem CID
- 3000325
- DTXSID
DTXSID60157781
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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