| CAS Number | 65190-39-8 |
| Catalog Number | AG00EEKT(AGN-PC-0TFS0N) |
| Chemical Name | 1,5-Anhydro-4,6-O-benzylidene-D-glucitol |
| IUPAC Name | (4aR,7S,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
| InChI | InChI=1S/C13H16O5/c14-9-6-16-10-7-17-13(18-12(10)11(9)15)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12+,13?/m0/s1 |
| InChI Key | KRNWQNYQBBRLMC-ZLUZDFLPSA-N |
| MDL Number | MFCD07367641 |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.2631 |
| SMILES | [H][C@@]12COC(O[C@@]1([H])[C@H](O)[C@@H](O)CO2)C1=CC=CC=C1 |
| Synonyms | 1,5-Anhydro-4,6-O-benzylidene-D-glucitol,
65190-39-8,
SCHEMBL202520,
CTK8F3013,
KRNWQNYQBBRLMC-ZLUZDFLPSA-N,
AKOS030242600,
4-O,6-O-Benzylidene-1,5-anhydro-D-glucitol,
W-203413,
(4aR,7S,8R,8aS)-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.266g/mol |
| Monoisotopic Mass | 252.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number