Basic information
- Standard SMILES
CC(C)(C)c1ccc(OCC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)cc1- InChIKey
CRXISMVOEJIPMY-FRQCXROJSA-N- Molecular formula
- C21H27N3O6
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.18998559
Names & identifiers
- Preferred name
- N4-((4-tertbutylphenoxy)acetyl)-2'-deoxycytidine
- IUPAC
- 2-(4-tert-butylphenoxy)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Names & synonyms
SCHEMBL6890005CRXISMVOEJIPMY-FRQCXROJSA-NN4-((4-tertbutylphenoxy)acetyl)-2'-deoxycytidine
Database identifiers
- PubChem CID
- 69929427
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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