| CAS Number | 24718-43-2 |
| Catalog Number | AG002P6Z(AGN-PC-0R0I0Z) |
| Chemical Name | 4-Chloro-2-cyclopentylphenyl-β-D-galactopyranoside |
| IUPAC Name | (2S,3R,4S,5R,6R)-2-(4-chloro-2-cyclopentylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C17H23ClO6/c18-10-5-6-12(11(7-10)9-3-1-2-4-9)23-17-16(22)15(21)14(20)13(8-19)24-17/h5-7,9,13-17,19-22H,1-4,8H2/t13-,14+,15+,16-,17-/m1/s1 |
| InChI Key | OIPLGSGCPWWFRT-DRRXZNNHSA-N |
| MDL Number | MFCD00057490 |
| Molecular Formula | C17H23ClO6 |
| Molecular Weight | 358.8139 |
| SMILES | OCC1O[C@@H](Oc2ccc(cc2C2CCCC2)Cl)C([C@H]([C@H]1O)O)O |
| Synonyms | 4-Chloro-2-cyclopentylphenyl-beta-D-galactopyranoside,
24718-43-2,
4-Chloro-2-cyclopentylphenyl b-D-galactopyranoside,
ZINC38599764,
CC-18634,
C-20861,
W-202031,
beta-D-Galactopyranoside, 4-chloro-2-cyclopentylphenyl,
(2S,3R,4S,5R,6R)-2-(4-Chloro-2-cyclopentylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.815g/mol |
| Monoisotopic Mass | 358.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number