| CAS Number | 183875-28-7 |
| Catalog Number | AG00IMJI(AGN-PC-0QCS3L) |
| Chemical Name | b-D-Galactopyranoside, phenyl 3,4,6-tris-O-(phenylmethyl)-1-thio-,acetate |
| IUPAC Name | [4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl] acetate |
| InChI | InChI=1S/C35H36O6S/c1-26(36)40-34-33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(25-37-22-27-14-6-2-7-15-27)41-35(34)42-30-20-12-5-13-21-30/h2-21,31-35H,22-25H2,1H3 |
| InChI Key | IKFDEPUTIUTSLC-UHFFFAOYSA-N |
| MDL Number | MFCD27976837 |
| Molecular Formula | C35H36O6S |
| Molecular Weight | 584.7217 |
| SMILES | CC(O[C@H]1[C@H](SC2=CC=CC=C2)O[C@@H]([C@@H]([C@@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)=O |
| Synonyms | Gal[2Ac,346Bn]-beta-SPh,
Phenyl 2-O-Acetyl-3,4,6-tri-O-benzyl-1-thio-beta-D-galactopyranoside,
183875-28-7,
SCHEMBL10261481,
P2078,
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| Complexity | 757 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 584.223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.727g/mol |
| Monoisotopic Mass | 584.223g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
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Certificate of Analysis
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