4-[2-[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
Basic information
- CAS
76563-09-2- Standard SMILES
Cc1cn(C2CC(O)C(CCNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O- InChIKey
OJGWYODCQIMIGF-UHFFFAOYSA-N- Molecular formula
- C18H20FN3O7S
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.10059932
Names & identifiers
- Preferred name
- 4-[2-[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
- IUPAC
- 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
Names & synonyms
NSC32719276563-09-2DTXSID30318185NSC-3271925-Methyl-1-{2,5,6-trideoxy-6-[4-(fluorosulfonyl)benzamido]hexofuranosyl}pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
76563-09-2- PubChem CID
- 331902
- DTXSID
DTXSID30318185
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 833
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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