| CAS Number | 80887-27-0 |
| Catalog Number | AG003GAC(AGN-PC-0UI5O0) |
| Chemical Name | 2-Acetamido-3-O-benzyl-4,6-O-benzylidene-2-deoxy-β-D-glucopyranosyl Azide |
| IUPAC Name | N-[(2R,4aR,6R,7R,8R,8aS)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide |
| InChI | InChI=1S/C22H24N4O5/c1-14(27)24-18-20(28-12-15-8-4-2-5-9-15)19-17(30-21(18)25-26-23)13-29-22(31-19)16-10-6-3-7-11-16/h2-11,17-22H,12-13H2,1H3,(H,24,27)/t17-,18-,19-,20-,21-,22-/m1/s1 |
| InChI Key | FVNJPKGJMMREOM-CGXUPHRESA-N |
| MDL Number | MFCD23104224 |
| Molecular Formula | C22H24N4O5 |
| Molecular Weight | 424.4498 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2COC(O[C@H]2[C@@H]1OCc3ccccc3)c4ccccc4)N=[N+]=[N-] |
| Synonyms | 80887-27-0,
2-Acetamido-3-O-benzyl-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranosyl Azide,
CTK8B2818,
DTXSID20659736,
ANW-41110,
MFCD06797052,
AKOS025295776,
TR-025504,
N-[(2R,4aR,6R,7R,8R,8aS)-6-Azido-8-(benzyloxy)-2-phenylhexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide (non-preferred name),
A1813,
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| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.457g/mol |
| Monoisotopic Mass | 424.175g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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