Basic information
- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)C2(F)F)c(=O)n1- InChIKey
YTBOQDUZTPLITF-DIMCTHFVSA-N- Molecular formula
- C13H15F2N3O7
- Average molar mass
- 363.27 g/mol
Names & identifiers
- Preferred name
- 5'-O-(3-Carboxy-1-oxopropyl)-2'-deoxy-2',2'-difluorocytidine
- IUPAC
- 4-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-4-oxobutanoic acid
Names & synonyms
5'-O-(3-Carboxy-1-oxopropyl)-2'-deoxy-2',2'-difluorocytidineSCHEMBL9798551
Database identifiers
- PubChem CID
- 9820403
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Related reactions
3 records
Compound notes
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