Basic information
- Standard SMILES
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C(CC)c3ccccc3)O2)c(=O)[nH]c1=O- InChIKey
WMWJIUWQXVYXCY-ASQKFFOYSA-N- Molecular formula
- C21H27N3O5
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.19507097
Names & identifiers
- Preferred name
- 2',5'-Dideoxy-5-ethyl-5'-(2-phenylbutyramido)uridine
- IUPAC
- N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbutanamide
Names & synonyms
SCHEMBL9780942WMWJIUWQXVYXCY-ASQKFFOYSA-N2',5'-dideoxy-5-ethyl-5'-(2-phenylbutyramido)uridine
Database identifiers
- PubChem CID
- 18633385
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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