α-D-Cellobiose octaacetate

Chemical Information
[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6R)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate has been reported in Anabaena and Romanoa with data available.
| CAS Number | 5346-90-7 |
| PubChem CID | 111065 |
| IUPAC Name | [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate |
| Molecular Formula | C28H38O19 |
| Molecular Weight | 678.6 |
| XLogP | 0.2 |
| Topological Polar Surface Area | 238 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1200 |
| Property | Value |
|---|---|
| Molecular Weight | 678.6 |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 20 |
| Exact Mass | 678.20072898 |
| Monoisotopic Mass | 678.20072898 |
| Topological Polar Surface Area | 238 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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