Basic information
- CAS
132776-18-2- Standard SMILES
Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OS(C)(=O)=O)[C@@H]2F)c(=O)[nH]c1=O- InChIKey
SKWXDJJBFQDDTI-HLPPOEQASA-N- Molecular formula
- C18H19FN2O8S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.0846149
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(5-O-benzoyl-2-deoxy-2-fluoro-3-O-(methylsulfonyl)-b-D-arabinofuranosyl)-5-methyl-
- IUPAC
- [(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Names & synonyms
Benzoyl-Mesyl-FMAU132776-18-22,4(1H,3H)-Pyrimidinedione, 1-(5-O-benzoyl-2-deoxy-2-fluoro-3-O-(methylsulfonyl)-b-D-arabinofuranosyl)-5-methyl-2,4(1H,3H)-Pyrimidinedione, 1-[5-O-benzoyl-2-deoxy-2-fluoro-3-O-(methylsulfonyl)-b-D-arabinofuranosyl]-5-methyl-DTXSID70157777[(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate1-[5-O-Benzoyl-2-deoxy-2-fluoro-3-O-(methanesulfonyl)-beta-D-arabinofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
132776-18-2- PubChem CID
- 453022
- DTXSID
DTXSID70157777
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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