Dodecyl b-D-thiomaltopyranoside

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Catalog Number
ACM148565586
Product Name
Dodecyl b-D-thiomaltopyranoside
Structure
Structure
CAS
148565-58-6
Category
Heterocyclic Organic Compound
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
Molecular Weight
526.68
Molecular Formula
C24H46O10S
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
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