AC1Q6MTR
(3'S,4'S,4'aR)-4'-(hydroxymethyl)-3'-methylspiro[1,3-dithiane-2,5'-2,3,4,4a,6,7-hexahydronaphthalene]-1'-one
Also Known As: NCI60_007442|(3'S,4'S,4'aR)-4'-(hydroxymethyl)-3'-methylspiro[1,3-dithiane-2,5'-2,3,4,4a,6,7-hexahydronaphthalene]-1'-one|(7'S,8'S,8a'R)-8'-(hydroxymethyl)-7'-methyl-2',3',6',7',8',8a'-hexahydro-5'H-spiro[1,3-dithiane-2,1'-naphthalen]-5'-one|rel-(7a(2)R,8a(2)R,8a(2)aS)-2a(2),3a(2),6a(2),7a(2),8a(2),8a(2)a-Hexahydro-8a(2)-(hydroxymethyl)-7a(2)-methylspiro[1,3-dithiane-2,1a(2)(5a(2)H)-naphthalen]-5a(2)-one
| Molecular Formula | C15H22O2S2 |
|---|---|
| Molecular Weight | 298.1061 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.1061 |
| Monoisotopic Mass | 298.1061 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 85539-98-6 |
|---|---|
| SMILES | C[C@H]1CC(=O)C2=CCCC3([C@@H]2[C@H]1CO)SCCCS3 |
| InChIKey | VGIPSDFQKHCMNK-JKOKRWQUSA-N |
Product Overview
AC1Q6MTR (CAS 85539-98-6), with molecular formula C15H22O2S2 and molecular weight 298.1061 g/mol. IUPAC: (3'S,4'S,4'aR)-4'-(hydroxymethyl)-3'-methylspiro[1,3-dithiane-2,5'-2,3,4,4a,6,7-hexahydronaphthalene]-1'-one.
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