Undecyl 4-O-Alpha-D-Glucopyranosyl-1-Thio-Beta-D-Glucopyranoside

Base Information

• Chemical Name: Undecyl 4-O-Alpha-D-Glucopyranosyl-1-Thio-Beta-D-Glucopyranoside
• CAS No.: 148565-57-5
• Molecular Formula: C23H44 O10 S
• Molecular Weight: 512.65400
• Wikidata: Q27451372
• Mol file: 148565-57-5.mol

Synonyms:148565-57-5;Undecyl b-D-thiomaltopyranoside;Undecyl 4-O-Alpha-D-Glucopyranosyl-1-Thio-Beta-D-Glucopyranoside;beta-D-Glucopyranoside, undecyl 4-O-alpha-D-glucopyranosyl-1-thio-;(2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-(undecylthio)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;(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;(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecylsulfanyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Undecyl beta-D-thiomaltopyranoside;n-Undecyl-|A-D-Thiomaltopyranoside;N-UNDECYL-B-D-THIOMALTOSIDE;Q27451372;Undecyl-4-O-I+/--D-glucopyranosyl-1-thio-I(2)-D-Glucopyranoside;0SA

Chemical Property of Undecyl 4-O-Alpha-D-Glucopyranosyl-1-Thio-Beta-D-Glucopyranoside

Chemical Property:

• Boiling Point: 724.4±60.0 °C(Predicted)
• PKA: 12.89±0.70(Predicted)
• PSA: 194.60000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: -0.12550
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 15
• Exact Mass: 512.26551877
• Heavy Atom Count: 34
• Complexity: 544

Purity/Quality:

98% ^*data from raw suppliers

Undecyl b-D-thiomaltopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
• 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