| CAS Number | 1820583-64-9 |
| Catalog Number | AG00I0F5(AGN-PC-0WQUNO) |
| Chemical Name | 4-Methoxyphenyl 3-O-Allyl-6-O-benzyl-2-deoxy-2-phthalimido-beta-D-glucopyranoside |
| IUPAC Name | 2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]isoindole-1,3-dione |
| InChI | InChI=1S/C31H31NO8/c1-3-17-38-28-26(32-29(34)23-11-7-8-12-24(23)30(32)35)31(39-22-15-13-21(36-2)14-16-22)40-25(27(28)33)19-37-18-20-9-5-4-6-10-20/h3-16,25-28,31,33H,1,17-19H2,2H3/t25-,26-,27-,28-,31-/m1/s1 |
| InChI Key | UGQLXVORDHWCEW-WQBXQMBKSA-N |
| MDL Number | MFCD16295191 |
| Molecular Formula | C31H31NO8 |
| Molecular Weight | 545.5797 |
| SMILES | COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC=C)N4C(=O)C5=CC=CC=C5C4=O |
| Synonyms | 4-Methoxyphenyl 3-O-Allyl-6-O-benzyl-2-deoxy-2-phthalimido-beta-D-glucopyranoside,
MFCD16295191,
ZINC228902078,
1820583-64-9,
N/A,
|
| Complexity | 830 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 545.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 545.588g/mol |
| Monoisotopic Mass | 545.205g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number