Dodecyl b-D-thiomaltopyranoside

• CAS: 148565-58-6
• Catalog Number: ACM148565586
• Category: Other Products
• Molecular Weight: 526.68
• Molecular Formula: C24H46O10S
• Synonyms: n-Dodecyl b-D-thiomaltoside; Dodecyl 4-O-(a-D-glucopyranosyl)-1-thio-b-D-glucopyranoside
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C24H46O10S/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
• InChI Key: ONZZYJQRGFMDCX-ALYNCGSASA-N
• Solubility: ≥10% (in water at 20 °C)
• Appearance: White to off-white powder
• Complexity: 558
• Exact Mass: 526.28116883
• Formal Charge: 0
• Heavy Atom Count: 35
• Hydrogen Bond Acceptor Count: 11
• Hydrogen Bond Donor Count: 7
• Isomeric SMILES: CCCCCCCCCCCCS[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
• MDL Number: MFCD09750644
• Monoisotopic Mass: 526.28116883
• pH: 5-8 (1% solution in water)
• Rotatable Bond Count: 16
• Topological Polar Surface Area: 195 Ų
• XLogP3-AA: 2.2