| CAS Number | 1272755-07-3 |
| Catalog Number | AG009FBL(AGN-PC-0WAAJ9) |
| Chemical Name | 4-Methoxyphenyl 2-amino-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside |
| IUPAC Name | (2R,3S,4R,5R,6S)-5-amino-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol |
| InChI | InChI=1S/C27H31NO6/c1-30-21-12-14-22(15-13-21)33-27-24(28)26(32-17-20-10-6-3-7-11-20)25(29)23(34-27)18-31-16-19-8-4-2-5-9-19/h2-15,23-27,29H,16-18,28H2,1H3/t23-,24-,25-,26-,27-/m1/s1 |
| InChI Key | DFPWFVXGRBQWGQ-RFNQJFSXSA-N |
| MDL Number | MFCD08276392 |
| Molecular Formula | C27H31NO6 |
| Molecular Weight | 465.5381 |
| SMILES | O[C@H]([C@@H](COCC1=CC=CC=C1)O2)[C@H](OCC3=CC=CC=C3)[C@@H](N)[C@@H]2OC4=CC=C(OC)C=C4 |
| Synonyms | 1272755-07-3,
4-Methoxyphenyl 2-Amino-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside,
DTXSID40659753,
MFCD08276392,
ZINC44069266,
M1616,
4-Methoxyphenyl-2-amino-3,6-di-o-benzyl-2-deoxy-beta-D-glucopyranoside,
DFPWFVXGRBQWGQ-RFNQJFSXSA-N,
|
| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.546g/mol |
| Monoisotopic Mass | 465.215g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number