Basic information
- CAS
124355-34-6- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](n3cncn3)[C@@H]2O)c(=O)[nH]c1=O- InChIKey
NFMNMHBUIZBSKA-SDNRWEOFSA-N- Molecular formula
- C12H15N5O5
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.1073186
Names & identifiers
- Preferred name
- 1-(3-(1,2,4-Triazol-1-yl)-3-deoxy-beta-D-arabinofuranosyl)-thymine
- IUPAC
- 1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
124355-34-61-(3-(1,2,4-Triazol-1-yl)-3-deoxy-beta-D-arabinofuranosyl)-thymineDTXSID301542871-[3-(1,2,4-Triazol-1-yl)-3-deoxy-.beta.-D-arabinofuranosyl]-thymine1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[3-Deoxy-3-(1H-1,2,4-triazol-1-yl)-beta-D-arabinofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
124355-34-6- PubChem CID
- 452136
- DTXSID
DTXSID30154287- Nikkaji
- J273.840F
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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