| CAS Number | 165331-08-8 |
| Catalog Number | AG00ADJS(AGN-PC-0Q8QUT) |
| Chemical Name | 2-Azidoethyl β-D-Glucopyranoside |
| IUPAC Name | (2R,3S,4S,5S,6S)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C8H15N3O6/c9-11-10-1-2-16-8-7(15)6(14)5(13)4(3-12)17-8/h4-8,12-15H,1-3H2/t4-,5+,6-,7-,8+/m0/s1 |
| InChI Key | VGCOVRUENPCVTD-GWVFRZDISA-N |
| MDL Number | MFCD15072142 |
| Molecular Formula | C8H15N3O6 |
| Molecular Weight | 249.2212 |
| SMILES | C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)N=[N+]=[N-] |
| Synonyms | 165331-08-8,
2-Azidoethyl beta-D-Glucopyranoside,
DTXSID30693686,
2-Azidoethyl alpha-L-gulopyranoside,
MFCD15072142,
ZINC199250357,
A2267,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.223g/mol |
| Monoisotopic Mass | 249.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
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