| CAS Number | 148616-91-5 |
| Catalog Number | AG001L3L(AGN-PC-0Q23SM) |
| Chemical Name | OCtyl beta-d-thiomaltopyranoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-octylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1 |
| InChI Key | JHBBNAKIOKQRJS-NQXZFOFXSA-N |
| MDL Number | MFCD09750647 |
| Molecular Formula | C20H38O10S |
| Molecular Weight | 470.5747 |
| SMILES | O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)[C@H]1[C@H](O)[C@@H](O)[C@H](SCCCCCCCC)O[C@@H]1CO |
| Synonyms | Octyl b-D-thiomaltopyranoside,
148616-91-5,
OCTYL BETA-D-THIOMALTOPYRANOSIDE,
Octyl-beta-D-thiomaltopyranoside,
Octyl |A-D-1-thiomaltoside,
CTK8E7866,
DTXSID70470574,
Octyl |A-D-1-thiomaltopyranoside,
C20H38O10S,
ZINC100058001,
RT-014842,
W0606,
K-4723,
Octyl beta-D-1-thiomaltoside, >=99.0% (TLC),
Octyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside,
Thiooctyl-maltoside,
CID11684240,
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| Complexity | 501 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 470.219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 470.574g/mol |
| Monoisotopic Mass | 470.219g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 195A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number