Basic information
- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COCc3ccc4ccc5cccc6ccc3c4c56)O2)c(=O)[nH]c1=O- InChIKey
JYHRDMLZCIBPEF-YTFSRNRJSA-N- Molecular formula
- C27H24N2O5
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- 5'-O-[(pyren-1-yl)methyl]thymidine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(pyren-1-ylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL8659251JYHRDMLZCIBPEF-YTFSRNRJSA-N5'-O-[(pyren-1-yl)methyl]thymidine
Database identifiers
- PubChem CID
- 22877792
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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