Prunasin
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: Prunasin|(R)-Prunasin|D-Prunasin|Prulaurasin|Prunacin|(2R)-Prunasin|Prunasine|R-Prunasin|(-)-Prunasin|prunasin, (R)-|(-)-(2R)-Prunasin|D-Mandelonitrile-beta-D-glucoside|mandelonitrile-beta-glucoside|(R)-mandelonitrile beta-D-glucoside|EINECS 202-738-0|(R)-(beta-D-Glucopyranosyloxy)phenylacetonitrile|(R)-mandelonitrile beta-D-glucopyranoside|HY-N1548|(R)-alpha-(beta-D-Glucopyranosyloxy)benzene-acetonitrile|D,L-Mandelonitrile-beta-D-glucoside|NP4632|MANDELONITRILE GLUCOSIDE D-FORM|19-Hydroxy-4-androstene-3,17-dione|(2R)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|4CN-1164
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.1056 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 123.17 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 99-18-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
Prunasin (CAS 99-18-3), with molecular formula C14H17NO6 and molecular weight 295.1056 g/mol. IUPAC: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
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