5-Chloro-2-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-1,2,4-triazin-3(2h)-one
Basic information
- CAS
13237-05-3- Standard SMILES
Cc1ccc(C(=O)OCC2OC(n3ncc(Cl)nc3=O)CC2OC(=O)c2ccc(C)cc2)cc1- InChIKey
AJSLWNTXJHIRGW-UHFFFAOYSA-N- Molecular formula
- C24H22ClN3O6
- Average molar mass
- 483.9 g/mol
- Monoisotopic mass
- 483.1197131
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-1,2,4-triazin-3(2h)-one
- IUPAC
- [5-(5-chloro-3-oxo-1,2,4-triazin-2-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Names & synonyms
13237-05-3NSC1011575-chloro-2-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-1,2,4-triazin-3(2h)-oneDTXSID40927646NSC-101157
Database identifiers
- CAS
13237-05-3- PubChem CID
- 265290
- DTXSID
DTXSID40927646
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 833
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Compound notes
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