| CAS Number | 1820580-75-3 |
| Catalog Number | AG00IMII(AGN-PC-0WQUNM) |
| Chemical Name | 4-MEthoxyphenyl 3,4-o-isopropylidene-6-o-(4-methylbenzoyl)-beta-d-galactopyranoside |
| IUPAC Name | [(3aR,7aR)-7-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl 4-methylbenzoate |
| InChI | InChI=1S/C24H28O8/c1-14-5-7-15(8-6-14)22(26)28-13-18-20-21(32-24(2,3)31-20)19(25)23(30-18)29-17-11-9-16(27-4)10-12-17/h5-12,18-21,23,25H,13H2,1-4H3/t18?,19?,20-,21-,23?/m1/s1 |
| InChI Key | WHYAFYRMODYSLP-ANRWUSAUSA-N |
| MDL Number | MFCD06797136 |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.4743 |
| SMILES | COC1=CC=C(O[C@@H]2O[C@H](COC(=O)C3=CC=C(C)C=C3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C=C1 |
| Synonyms | 1820580-75-3,
4-Methoxyphenyl 3,4-O-Isopropylidene-6-O-(4-methylbenzoyl)-beta-D-galactopyranoside,
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| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.48g/mol |
| Monoisotopic Mass | 444.178g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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