NSC319622
[3,4-dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Also Known As: [3,4-dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate|6-[(1-Ethoxy-1-oxodecan-2-yl)sulfanyl]-2-(2,3,5-tri-O-benzoylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
CAS: 87733-50-4
| Molecular Formula | C41H45N3O11S |
|---|---|
| Molecular Weight | 787.27747 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Exact Mass | 787.27747 |
| Monoisotopic Mass | 787.27747 |
| Heavy Atoms | 56 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 87733-50-4 |
|---|---|
| SMILES | CCCCCCCCC(C(=O)OCC)SC1=NN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | NJOLIPTXPHALGD-UHFFFAOYSA-N |
Product Overview
NSC319622 (CAS 87733-50-4), with molecular formula C41H45N3O11S and molecular weight 787.27747 g/mol. IUPAC: [3,4-dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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