| CAS Number | 42891-16-7 |
| Catalog Number | AG00C0P9(AGN-PC-0RR1M0) |
| Chemical Name | n-Octyl-beta-D-thiogalactopyranoside |
| IUPAC Name | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol |
| InChI | InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14+/m1/s1 |
| InChI Key | CGVLVOOFCGWBCS-HTOAHKCRSA-N |
| MDL Number | MFCD00133686 |
| Molecular Formula | C14H28O5S |
| Molecular Weight | 308.4341 |
| SMILES | CCCCCCCCS[C@@H]1OC(CO)[C@@H]([C@H](C1O)O)O |
| Synonyms | N-OCTYL-BETA-D-THIOGALACTOPYRANOSIDE,
42891-16-7,
OCTYL B-D-THIOGALACTOPYRANOSIDE,
Octyl-beta-D-thiogalactoside,
SCHEMBL5577129,
7570AH,
MFCD00133686,
Octyl 1-thio-beta-D-galactopyranoside,
ZINC101659921,
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol,
C14H28O5S,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.433g/mol |
| Monoisotopic Mass | 308.166g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number