4-Methylphenyl2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside

4-Methylphenyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside CAS Number 28244-99-7 Product Name 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside IUPAC Name [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate Molecular Formula C21H26O9S Molecular Weight 454.49 g/mol InChI InChI=1S/C21H26O9S/c1-11-6-8-16(9-7-11)31-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(30-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21+/m1/s1 InChI Key XRFOIRMXQHXTRL-IFLJBQAJSA-N SMILES CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C Canonical SMILES CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C Isomeric SMILES CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C CAS No: 28244-99-7 MDL No: MFCD09750783 Chemical Formula: C21H26O9S Molecular Weight: 454.49