Apogossypol
3-methyl-5-propan-2-yl-2-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1,6,7-triol
Also Known As: Apogossypol|(+)-Apogossypol|(S)-Apogossypol|(R)-Apogossypol|Apogossypol;NSC736630|Apogossypol; NSC736630|CNDO-103|5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol|Racemic Apogossypol, stabilized with ascorbic acid|3-methyl-5-propan-2-yl-2-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1,6,7-triol|(2,2'-Binaphthalene)-1,1',6,6',7,7'-hexol, 5,5'-diisopropyl-3,3'-dimethyl-|3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol|3-methyl-5-propan-2-yl-2-(1,6,7-trihydroxy-3-methyl-5-propan|5,5'-Diisopropyl-3,3'-dimethyl-(2,2'-binaphthalene)-1,1',6,6',7,7'-hexol|(+)-5,5'-Diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,6,7,1',6',7'-hexaol|(+/-)-5,5'-Diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,6,7,1',6',7'-hexaol|(R)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol|1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]|3,3'-Dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol|(+)-3,3 -Dimethyl-5,5 -bis(1-methylethyl)-2,2 -binaphthalene-1,1 ,6,6 ,7,7 -hexol|5-isopropyl-3-methyl-2-(1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)naphthalene-1,6,7-triol
| Molecular Formula | C28H30O6 |
|---|---|
| Molecular Weight | 462.20422 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.20422 |
| Monoisotopic Mass | 462.20422 |
| Heavy Atoms | 34 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 784206-41-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)O)O)O)O)O)O)C(C)C |
| InChIKey | PBJKWGWHZVXBGU-UHFFFAOYSA-N |
Product Overview
Apogossypol (CAS 784206-41-3), with molecular formula C28H30O6 and molecular weight 462.20422 g/mol. IUPAC: 3-methyl-5-propan-2-yl-2-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1,6,7-triol.
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