Undecyl beta-D-thiomaltopyranoside

• CAS: 148565-57-5
• Catalog Number: ACM148565575
• Category: Other Products
• Molecular Weight: 512.7
• Molecular Formula: C23H44O10S
• Synonyms: Indolyl -1,3-diacetate
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• Canonical SMILES: CCCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
• InChI: InChI=1S/C23H44O10S/c1-2-3-4-5-6-7-8-9-10-11-34-23-20(30)18(28)21(15(13-25)32-23)33-22-19(29)17(27)16(26)14(12-24)31-22/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+/m1/s1
• InChI Key: SQISXDUZDUDUNY-GNKAUAAYSA-N
• Complexity: 544
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 10
• Exact Mass: 512.26551877
• H-Bond Acceptor: 11
• H-Bond Donor: 7
• Heavy Atom Count: 34
• Hydrogen Bond Acceptor Count: 11
• Hydrogen Bond Donor Count: 7
• Isomeric SMILES: CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
• Monoisotopic Mass: 512.26551877
• Physical State: Solid
• Rotatable Bond Count: 15
• Topological Polar Surface Area: 195 Ų