Basic information
- CAS
120232-10-2- Standard SMILES
C=CC[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
HZSCNTUVLCLTPA-HBNTYKKESA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.12665706
Names & identifiers
- Preferred name
- 3'-Allyl-3'-deoxythymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-Allyl-3'-deoxythymidine3'-Allyl-ddT120232-10-2SCHEMBL1094433DTXSID501527453'-Deoxy-3'-(prop-2-en-1-yl)thymidineThymidine, 3'-deoxy-3'-(2-propen-1-yl)-1-[(2R,4S,5S)-4-allyl-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
120232-10-2- PubChem CID
- 451963
- DTXSID
DTXSID50152745- Nikkaji
- J1.849.011K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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