3'-Propargyl-3'-deoxythymidine
Basic information
- CAS
128119-36-8- Standard SMILES
C#CC[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
CXDXZGAIJCYUCT-HBNTYKKESA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.111007
Names & identifiers
- Preferred name
- 3'-Propargyl-3'-deoxythymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-prop-2-ynyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-Propargyl-3'-deoxythymidine3'-Propargyl-ddT128119-36-8DTXSID101558133'-Deoxy-3'-(prop-2-yn-1-yl)thymidine1-[(2R,4S,5S)-5-(hydroxymethyl)-4-prop-2-ynyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
128119-36-8- PubChem CID
- 451964
- DTXSID
DTXSID10155813- Nikkaji
- J1.772.353G
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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