| CAS Number | 7286-45-5 |
| Catalog Number | AG005E7T(AGN-PC-0OH6WK) |
| Chemical Name | 6-Acetylglucose |
| IUPAC Name | [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] acetate |
| InChI | InChI=1S/C8H14O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h2,5-8,11-14H,3H2,1H3/t5-,6+,7+,8+/m0/s1 |
| InChI Key | VFPUCPVAZOMVLI-LXGUWJNJSA-N |
| Molecular Formula | C8H14O7 |
| Molecular Weight | 222.1926 |
| SMILES | CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O |
| Synonyms | 6-acetyl glucose,
6-O-acetyl-D-glucose,
6-O-acetyl-D-glucose,
7286-45-5,
glucose 6-acetate,
SCHEMBL215097,
CTK5D6968,
DTXSID70595099,
6-acetylglucose,
6-Acetyl-D-glucose,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.193g/mol |
| Monoisotopic Mass | 222.074g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.9 |
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Certificate of Analysis
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