Basic information
- Standard SMILES
O=C(CCl)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OCc1ccccc1- InChIKey
ALRNLGOCKFFCLV-RRFJBIMHSA-N- Molecular formula
- C18H18ClFN2O6
- Average molar mass
- 412.8 g/mol
Names & identifiers
- Preferred name
- 3'-O-benzyl-5'-O-chloroacetyl-2'-deoxy-5-fluorouridine
- IUPAC
- [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxyoxolan-2-yl]methyl 2-chloroacetate
Names & synonyms
SCHEMBL9101129ALRNLGOCKFFCLV-RRFJBIMHSA-N3'-O-benzyl-5'-O-chloroacetyl-2'-deoxy-5-fluorouridine
Database identifiers
- PubChem CID
- 13715089
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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