AC1MJ4OD
2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-|Benzenesulfonic acid, 2(or 5)-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-5(or 2)-(1-methyl-1-phenylethyl)-|2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid
| Molecular Formula | C29H25NO7S |
|---|---|
| Molecular Weight | 531.1352 g/mol |
| LogP | 5.0767 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1352 |
| Monoisotopic Mass | 531.1352 |
| Heavy Atoms | 38 |
| Complexity | 1653.8538 |
Chemical Identifiers
| CAS Number | 71606-01-4 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)[C@H]5C=CC=C[C@@H]5C4=O)N)S(=O)(=O)O |
Product Overview
AC1MJ4OD (CAS 71606-01-4), with molecular formula C29H25NO7S and molecular weight 531.1352 g/mol. IUPAC: 2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid.
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