[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylsulfanyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylsulfanyl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylsulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methylthio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylsulfanyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methyl ester Formula: C20H30O14S MolecularWeight: 526.5088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCC2(C(C(C(CO2)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SCC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H30O14S/c1-8(21)29-6-13-15(31-9(2)22)16(32-10(3)23)17(33-11(4)24)19(34-13)35-7-20(28)18(27)14(26)12(25)5-30-20/h12-19,25-28H,5-7H2,1-4H3/t12-,13-,14-,15-,16+,17-,18+,19+,20?/m1/s1