Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
Basic information
- CAS
127479-68-9- Standard SMILES
Cc1cn([C@H]2C[C@H](n3nnc(CO)c3CO)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
XBQZBYADHGWNSU-MVWJERBFSA-N- Molecular formula
- C14H19N5O6
- Average molar mass
- 353.33 g/mol
- Monoisotopic mass
- 353.13353334
Names & identifiers
- Preferred name
- Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
- IUPAC
- 1-[(2R,4S,5S)-4-[4,5-bis(hydroxymethyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-(4,5-bisMeOH-triazole)dT127479-68-9Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-3'-(4,5-Bishydroxymethyl-1,2,3-triazol-1-yl)-3'-deoxythymidineThymidine, 3'-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-3'-deoxy-DTXSID801555823'-[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-3'-deoxythymidine1-[(2R,4S,5S)-4-[4,5-bis(hydroxymethyl)triazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
127479-68-9- PubChem CID
- 452376
- DTXSID
DTXSID80155582- Nikkaji
- J277.229I
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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