Amygdalin
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Also Known As: amygdalin|D-Amygdalin|(R)-Amygdalin|Amygdaloside|Laetrile|(R)-Laenitrile|Glucoprunasin|R-Amygdalin|(R)-Amygdaloside|Vitamin B17|amygdaline|Amygdalin/Vitamin B17|AMYGDALIN [MI]|Mandelonitrile-beta-gentiobioside|AMYGDALIN [HSDB]|bmse000139|Mandelonitrile gentiobioside|AMYGDALIN [WHO-DD]|Amygdalin (Vitamin B17)|D(-)-Mandelonitrile-beta-D-gentiobioside|Mandelonitrile beta Gentiobioside|EINECS 249-925-3|ERK5-7C13|MSK1532|AMYGDALIN (REFERENCE GRADE)|D-Mandelonitrile-beta-gentiobioside|HY-N0190
| Molecular Formula | C20H27NO11 |
|---|---|
| Molecular Weight | 457.15842 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.15842 |
| Monoisotopic Mass | 457.15842 |
| Heavy Atoms | 32 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 672-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O |
| InChIKey | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amygdalin (CAS 672-72-0), with molecular formula C20H27NO11 and molecular weight 457.15842 g/mol. IUPAC: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile.
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