| CAS Number | 1820570-59-9 |
| Catalog Number | AG00I0CP(AGN-PC-0WQUNN) |
| Chemical Name | 4-Methoxyphenyl 2,6-Bis-O-(4-methylbenzoyl)-beta-D-galactopyranoside |
| IUPAC Name | [3,4-dihydroxy-6-(4-methoxyphenoxy)-5-(4-methylbenzoyl)oxyoxan-2-yl]methyl 4-methylbenzoate |
| InChI | InChI=1S/C29H30O9/c1-17-4-8-19(9-5-17)27(32)35-16-23-24(30)25(31)26(38-28(33)20-10-6-18(2)7-11-20)29(37-23)36-22-14-12-21(34-3)13-15-22/h4-15,23-26,29-31H,16H2,1-3H3 |
| InChI Key | KGTSZMZIXWBXKC-UHFFFAOYSA-N |
| MDL Number | MFCD06797138 |
| Molecular Formula | C29H30O9 |
| Molecular Weight | 522.5431 |
| SMILES | COC1=CC=C(O[C@@H]2O[C@H](COC(=O)C3=CC=C(C)C=C3)[C@H](O)[C@H](O)[C@H]2OC(=O)C2=CC=C(C)C=C2)C=C1 |
| Synonyms | 1820570-59-9,
4-Methoxyphenyl 2,6-Bis-O-(4-methylbenzoyl)-beta-D-galactopyranoside,
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| Complexity | 751 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 522.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 522.55g/mol |
| Monoisotopic Mass | 522.189g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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