[3,4-Dibenzoyloxy-5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl benzoate
Basic information
- CAS
57847-02-6- Standard SMILES
O=C(OCC1OC(n2nc(SCc3ccccc3)c(=O)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
UCOKWHVBPSBQEZ-UHFFFAOYSA-N- Molecular formula
- C36H29N3O9S
- Average molar mass
- 679.7 g/mol
- Monoisotopic mass
- 679.16245068
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
NSC30687357847-02-6DTXSID80316792NSC-3068736-(Benzylsulfanyl)-2-(2,3,5-tri-O-benzoylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
57847-02-6- PubChem CID
- 328445
- DTXSID
DTXSID80316792
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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