Prulaurasin

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

Also Known As: Prulaurasin|Mandelonitrile glucoside|Prunasin|Prunasine|D-Prunasin|(R)-Prunasin|(DL)-Prunasin|(2R)-Prunasin|D,L-Mandelonitrile-beta-D-glucoside|mandelonitrile beta-D-glucopyranoside|mandelonitrile-beta-glucoside|mandelonitrile beta-D-glucoside|MEGxp0_000351|ACon1_000529|alpha-Cyanobenzyl beta-D-glucopyranoside|alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile|MANDELONITRILE GLUCOSIDE [MI]|(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|MANDELONITRILE GLUCOSIDE DL-FORM|MANDELONITRILE GLUCOSIDE [WHO-DD]|NCGC00168992-01|NCGC00168992-02|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-|MANDELONITRILE GLUCOSIDE DL-FORM [MI]|MANDELONITRILE .BETA.-D-GLUCOPYRANOSIDE|alpha-(beta-D-Glucopyranosyl)oxybenzeneacetonitrile|.ALPHA.-CYANOBENZYL .BETA.-D-GLUCOPYRANOSIDE|alpha-(beta-D-Glucopyranosyloxy)-Benzeneacetonitrile|AR)-|A-(|A-D-Glucopyranosyloxy)benzeneacetonitrile|2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)- (9CI)|BRD-A06421966-001-01-9|BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-

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	138-53-4
SMILES	C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O