| CAS Number | 1430068-18-0 |
| Catalog Number | AG009GMC(AGN-PC-0WNHAB) |
| Chemical Name | 4-Methoxyphenyl 2-Azido-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside |
| IUPAC Name | (2R,4aR,6S,7R,8R,8aS)-7-azido-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol |
| InChI | InChI=1S/C20H21N3O6/c1-25-13-7-9-14(10-8-13)27-20-16(22-23-21)17(24)18-15(28-20)11-26-19(29-18)12-5-3-2-4-6-12/h2-10,15-20,24H,11H2,1H3/t15-,16-,17-,18-,19-,20-/m1/s1 |
| InChI Key | HCOPARKYIRRSBS-BZIXAJQCSA-N |
| MDL Number | MFCD06797146 |
| Molecular Formula | C20H21N3O6 |
| Molecular Weight | 399.3972 |
| SMILES | O1[C@H](O[C@@H]2[C@H](O[C@H]([C@H](N=[N+]=[N-])[C@H]2O)OC2C=CC(OC)=CC=2)C1)C1C=CC=CC=1 |
| Synonyms | 4-Methoxyphenyl 2-Azido-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside,
1430068-18-0,
ZINC72099097,
M1637,
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| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.403g/mol |
| Monoisotopic Mass | 399.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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