3'-Deoxy-3'-(1,2,3-triazol-1-yl)thymidine
Basic information
- CAS
122370-58-5- Standard SMILES
Cc1cn([C@H]2C[C@H](n3ccnn3)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
CPWUCLYZTKEZPT-IVZWLZJFSA-N- Molecular formula
- C12H15N5O4
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.11240398
Names & identifiers
- Preferred name
- 3'-Deoxy-3'-(1,2,3-triazol-1-yl)thymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
122370-58-53'-Deoxy-3'-(1,2,3-triazol-1-yl)thymidine3'-(1,2,3-Triazol)dTDTXSID60153586RefChem:269390DTXCID2076077CHEMBL10927293'-Deoxy-3'-(1H-1,2,3-triazol-1-yl)thymidineN7HZ7XDP9PSCHEMBL9965127BDBM503148471-[(2R,4S,5S)-5-(hydroxymethyl)-4-(1H-1,2,3-triazol-1-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
PD180757Thymidine, 3'-deoxy-3'-(1H-1,2,3-triazol-1-yl)-3''-(1,2,3-Triazol-1-yl)-3''-deoxy-beta-D-thymidine1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(triazol-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
122370-58-5- PubChem CID
- 452142
- DTXSID
DTXSID60153586- ChEMBL
CHEMBL1092729- UNII
- N7HZ7XDP9P
- Nikkaji
- J265.294C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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