| CAS Number | 104486-80-8 |
| Catalog Number | AG00IMI5(AGN-PC-0OTFKI) |
| Chemical Name | L-glycero-alpha-D-manno-Heptopyranose 1,2,3,4,6,7-hexaacetate |
| IUPAC Name | [2-acetyloxy-2-(3,4,5,6-tetraacetyloxyoxan-2-yl)ethyl] acetate |
| InChI | InChI=1S/C19H26O13/c1-8(20)26-7-14(27-9(2)21)15-16(28-10(3)22)17(29-11(4)23)18(30-12(5)24)19(32-15)31-13(6)25/h14-19H,7H2,1-6H3 |
| InChI Key | QZKAVUYSOOSMDY-UHFFFAOYSA-N |
| MDL Number | MFCD31618143 |
| Molecular Formula | C19H26O13 |
| Molecular Weight | 462.4019 |
| SMILES | C(C)(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O1)[C@@H](OC(C)=O)COC(C)=O |
| Synonyms | L-glycero-alpha-D-manno-Heptopyranose 1,2,3,4,6,7-Hexaacetate,
104486-80-8,
|
| Complexity | 746 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 462.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.404g/mol |
| Monoisotopic Mass | 462.137g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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