Basic information
- CAS
124355-42-6- Standard SMILES
Cc1cn([C@H]2C[C@H](n3cccn3)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
JKCKVQTVPLQWJN-HBNTYKKESA-N- Molecular formula
- C13H16N4O4
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.117155
Names & identifiers
- Preferred name
- 3'-Deoxy-3'-pyrazol-1-yl-thymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-pyrazol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3-pyrazoldT3'-Deoxy-3'-pyrazol-1-yl-thymidine124355-42-6DTXSID201542913'-Deoxy-3'-(1H-pyrazol-1-yl)thymidine1-[(2R,4S,5S)-5-(hydroxymethyl)-4-pyrazol-1-yl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
124355-42-6- PubChem CID
- 452138
- DTXSID
DTXSID20154291- Nikkaji
- J273.841D
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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