Sambunigrin

(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

Also Known As: Sambunigrin|(S)-prunasin|L-Prunasin|Prulaurasin|(2S)-Sambunigrin|S-Prunasin|(S)-Mandelonitrile beta-D-glucoside|Sambunigrin ((S)-Prunasin)|MANDELONITRILE GLUCOSIDE L-FORM|(2S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|MANDELONITRILE GLUCOSIDE L-FORM [MI]|(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile|(alphaS)-alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile|benzeneacetonitrile,|A-(|A-d-glucopyranosyloxy)-,(alphas)-|(2S)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile|(S)-2-Phenyl-2-(beta-D-glucopyranosyloxy)acetonitrile|(S)-alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile|Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-, (aS)-|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-, (alphaS)-|Benzeneacetonitrile,|A-(|A-D-glucopyranosyloxy)-, (S)-|(S)-2-Phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile|(alphaS)-alpha-(beta-D-Glucopyranosyloxy)-alpha-phenylacetonitrile|Benzeneacetonitrile, .alpha.-(.beta.-D-glucopyranosyloxy)-, (S)-|BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-, (.ALPHA.S)-|(2S)-2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)acetonitrile|(2S)-2-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyacetonitrile

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	99-19-4
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