| CAS Number | 20764-61-8 |
| Catalog Number | AG002J6O(AGN-PC-0QWLIH) |
| Chemical Name | (2S,3S,4R,5R)-2-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5-triacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate |
| InChI | InChI=1S/C16H22O11/c1-8(17)22-6-13-14(24-10(3)19)15(25-11(4)20)16(27-13,26-12(5)21)7-23-9(2)18/h13-15H,6-7H2,1-5H3/t13-,14-,15+,16-/m1/s1 |
| InChI Key | ZUCNAUQKYWJGML-LVQVYYBASA-N |
| MDL Number | MFCD00190904 |
| Molecular Formula | C16H22O11 |
| Molecular Weight | 390.3393 |
| SMILES | C(C)(=O)O[C@@]1(OC[C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O |
| Synonyms | 1,2,3,4,5-Penta-O-acetyl-b-D-fructose,
20764-61-8,
1,2,3,4,5-PENTA-O-ACETYL-BETA-D-FRUCTOSE,
SCHEMBL20154820,
ZINC15218515,
K-6012,
W-201816,
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| Complexity | 614 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.341g/mol |
| Monoisotopic Mass | 390.116g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number