| CAS Number | 148565-55-3 |
| Catalog Number | AG001L16(AGN-PC-0Q21B8) |
| Chemical Name | Nonyl beta-d-thiomaltopyranoside |
| EC Number | 604-641-2 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-nonylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C21H40O10S/c1-2-3-4-5-6-7-8-9-32-21-18(28)16(26)19(13(11-23)30-21)31-20-17(27)15(25)14(24)12(10-22)29-20/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21+/m1/s1 |
| InChI Key | AFOMEWLJBOWKCP-OHQXVXRSSA-N |
| MDL Number | MFCD00674538 |
| Molecular Formula | C21H40O10S |
| Molecular Weight | 484.6013 |
| SMILES | CCCCCCCCCS[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 |
| Synonyms | Nonyl-|A-D-1-thiomaltoside,
148565-55-3,
Nonyl-I(2)-D-1-thiomaltoside,
Nonyl-beta-D-1-thiomaltoside,
CTK8E7854,
DTXSID50470219,
ZINC100796989,
RT-014742,
Nonyl-beta-D-1-thiomaltoside, >=98.0% (TLC),
Nonyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside,
beta-D-Glucopyranoside, nonyl 4-O-alpha-D-glucopyranosyl-1-thio-,
CID 3595060,
CID11663071,
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| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 484.234g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 484.601g/mol |
| Monoisotopic Mass | 484.234g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 195A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number