| CAS Number | 140615-77-6 |
| Catalog Number | AG001CK5(AGN-PC-0PPQ3O) |
| Chemical Name | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-, 4-acetate |
| IUPAC Name | [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate |
| InChI | InChI=1S/C37H35NO9/c1-24(39)45-33-31(23-43-21-25-11-5-3-6-12-25)47-37(46-28-19-17-27(42-2)18-20-28)32(34(33)44-22-26-13-7-4-8-14-26)38-35(40)29-15-9-10-16-30(29)36(38)41/h3-20,31-34,37H,21-23H2,1-2H3/t31-,32-,33-,34-,37-/m1/s1 |
| InChI Key | QZTMIUALKXAHCQ-LEWWELECSA-N |
| MDL Number | MFCD11112179 |
| Molecular Formula | C37H35NO9 |
| Molecular Weight | 637.6751 |
| SMILES | CC(O[C@@H]1[C@@H](COCC2=CC=CC=C2)O[C@@H](OC3=CC=C(OC)C=C3)[C@H](N(C(C4=C5C=CC=C4)=O)C5=O)[C@H]1OCC6=CC=CC=C6)=O |
| Synonyms | 140615-77-6,
4-Methoxyphenyl 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-beta-D-glucopyranoside,
SCHEMBL3756881,
ZINC150355010,
4-Methoxyphenyl 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-b-D-glucopyranoside,
4-Methoxyphenyl4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-beta-D-glucopyranoside,
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| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 637.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 637.685g/mol |
| Monoisotopic Mass | 637.231g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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