Basic information
- CAS
68761-57-9- Standard SMILES
O=C(OCC1OC(n2cnc(=O)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
OXKSKIDXPKMVTI-UHFFFAOYSA-N- Molecular formula
- C29H23N3O9
- Average molar mass
- 557.5 g/mol
- Monoisotopic mass
- 557.14342932
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-(2,4-dioxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(2,4-dioxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
NSC28127368761-57-9DTXSID00314210NSC-2812731-(2,3,5-Tri-O-benzoylpentofuranosyl)-1,3,5-triazine-2,4(1H,3H)-dione
Database identifiers
- CAS
68761-57-9- PubChem CID
- 322889
- DTXSID
DTXSID00314210
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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