| CAS Number | 34384-79-7 |
| Catalog Number | AG007FXS(AGN-PC-0R9R8G) |
| Chemical Name | Allyl-Beta-D-Glucopyranoside |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol |
| InChI | InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1 |
| InChI Key | XJNKZTHFPGIJNS-SYHAXYEDSA-N |
| MDL Number | MFCD04038123 |
| Molecular Formula | C9H16O6 |
| Molecular Weight | 220.2197 |
| SMILES | OC[C@H]1O[C@@H](OCC=C)[C@H](O)[C@@H](O)[C@@H]1O |
| Synonyms | ALLYL-BETA-D-GLUCOPYRANOSIDE,
Allyl b-D-glucopyranoside,
34384-79-7,
beta-Allyl Glucoside,
allyl beta-d-glucopyranoside,
SCHEMBL861847,
MFCD04038123,
ZINC16951555,
ACN-054292,
K-7848,
384A797,
W-202408,
Allyl galactopyranoside,
CID11736138,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.221g/mol |
| Monoisotopic Mass | 220.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number