AC1Q5ODM
N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide
Also Known As: NCI60_014324|N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide|n-[1,2,3-trihydroxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexadecanamide|N-[1,2,3-Trihydroxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexadecanimidic acid
CAS: 1892-88-2
| Molecular Formula | C33H47NO5S |
|---|---|
| Molecular Weight | 569.3175 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 569.3175 |
| Monoisotopic Mass | 569.3175 |
| Heavy Atoms | 40 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 1892-88-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O |
| InChIKey | FBZHXZRNIYVAEX-UHFFFAOYSA-N |
Product Overview
AC1Q5ODM (CAS 1892-88-2), with molecular formula C33H47NO5S and molecular weight 569.3175 g/mol. IUPAC: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide.
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.
View MSDS →
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