AC1L6NPN
(7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate
Also Known As: methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside|(7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate|Methyl 2-S-benzyl-4,6-O-benzylidene-3-O-(4-methylbenzene-1-sulfonyl)-2-thiohexopyranoside
| Molecular Formula | C28H30O7S2 |
|---|---|
| Molecular Weight | 542.1433 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.1433 |
| Monoisotopic Mass | 542.1433 |
| Heavy Atoms | 37 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 883-87-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(COC(O3)C4=CC=CC=C4)OC(C2SCC5=CC=CC=C5)OC |
| InChIKey | FYWDMDRVHQOLBL-UHFFFAOYSA-N |
Product Overview
AC1L6NPN (CAS 883-87-4), with molecular formula C28H30O7S2 and molecular weight 542.1433 g/mol. IUPAC: (7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate.
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