Basic information
- CAS
6036-90-4- Standard SMILES
Cc1ccc(C(=O)Nc2nc(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)cc2F)cc1- InChIKey
VCRXENKFMIAZPE-BFHYXJOUSA-N- Molecular formula
- C17H18FN3O5
- Average molar mass
- 363.34 g/mol
- Monoisotopic mass
- 363.12304885
Names & identifiers
- Preferred name
- N-p-Toluoyl-5-fluoro-2'-deoxycytidine
- IUPAC
- N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
Names & synonyms
N-p-Toluoyl-5-fluoro-2'-deoxycytidineBRN 0851757N(sup 4)-p-Toluoyl-5-fluoro-2'-deoxycytidine6036-90-4DTXSID00209132p-Toluamide, N-(1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-RefChem:364707DTXCID201316232'-Deoxy-5-fluoro-N-(4-methylbenzoyl)cytidineBenzamide, N-[1-(2-deoxy-|A-D-erythro-pentofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]-4-methyl-
Database identifiers
- CAS
6036-90-4- PubChem CID
- 201466
- DTXSID
DTXSID00209132
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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