| CAS Number | 71676-30-7 |
| Catalog Number | AG00IC6R(AGN-PC-0TZ2MV) |
| Chemical Name | Phenyl 4,6-O-benzylidene-1-thio-beta-D-glucopyranoside |
| IUPAC Name | (4aR,6S,7R,8R,8aS)-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
| InChI | InChI=1S/C19H20O5S/c20-15-16(21)19(25-13-9-5-2-6-10-13)23-14-11-22-18(24-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19+/m1/s1 |
| InChI Key | BDNIQCYVYFGHSI-LELVVPQVSA-N |
| MDL Number | MFCD06797160 |
| Molecular Formula | C19H20O5S |
| Molecular Weight | 360.4241 |
| SMILES | O[C@H]1[C@H](Sc2ccccc2)O[C@H]2[C@H]([C@@H]1O)OC(OC2)c1ccccc1 |
| Synonyms | 87508-17-6,
Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside,
PHENYL4,6-O-BENZYLIDENE-1-THIO-BETA-D-GLUCOPYRANOSIDE,
71676-30-7,
SCHEMBL18523269,
MFCD06797160,
AKOS027383055,
SC-95373,
P1475,
Phenyl 4,6-o-benzylidene-1-thio-beta-d-glucopyrano,
Phenyl 4-O,6-O-benzylidene-1-thio-beta-D-glucopyranoside,
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| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.424g/mol |
| Monoisotopic Mass | 360.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number