Basic information
- CAS
87190-76-9- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)C[C@@H]1N=[N+]=[N-]- InChIKey
SGSTZVCBHMEELE-HOSYDEDBSA-N- Molecular formula
- C13H14N8O4
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.11380096
Names & identifiers
- Preferred name
- Acetic acid 3-azido-5-(2-oxo-4-(1,2,4)triazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester furan-2-ylmethyl ester
- IUPAC
- [(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Names & synonyms
87190-76-9Acetic acid 3-azido-5-(2-oxo-4-(1,2,4)triazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester furan-2-ylmethyl esterNSC382316Acetic acid 3-azido-5-(2-oxo-4-[1,2,4]triazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester furan-2-ylmethyl esterNSC 382316DTXSID80236163[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate1-(5-O-Acetyl-3-azido-2,3-dideoxy-beta-D-erythro-pentofuranosyl)-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one
Database identifiers
- CAS
87190-76-9- PubChem CID
- 457973
- DTXSID
DTXSID80236163
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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