| CAS Number | 32142-31-7 |
| Catalog Number | AG00CLWT(AGN-PC-0R7GFA) |
| Chemical Name | Vanillic acid 4-β-D-glucopyranoside |
| IUPAC Name | 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| InChI | InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1 |
| InChI Key | JYFOSWJYZIVJPO-YGEZULPYSA-N |
| MDL Number | MFCD16294851 |
| Molecular Formula | C14H18O9 |
| Molecular Weight | 330.2873 |
| SMILES | COC=1C=C(C(=O)O)C=CC1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| Synonyms | 32142-31-7,
SCHEMBL19798068,
CHEBI:68950,
Vanillic acid 4-|A-D-glucoside,
DTXSID80556358,
ZINC13514036,
Vanillic acid 4-|A-D-glucopyranoside,
4-O-beta-D-Glucopyranosylvanillic acid,
Vanillic acid 4-beta-D-glucopyranoside,
4-Hydroxy-3-methoxybenzoic acid 4-|A-D-glucoside,
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid,
Vanillic acid 4-beta-D-glucoside, analytical standard,
VANILLIC ACID 4-BETA-D-GLUCOSIDE,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.289g/mol |
| Monoisotopic Mass | 330.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number