Zierin

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

Also Known As: Zierin|allolactose|(2S)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)-|O-.BETA.-D-GLUCOPYRANOSYL-L-M-HYDROXYMANDELONITRILE|O-BETA-D-GLUCOPYRANOSYL-L-M-HYDROXYMANDELONITRILE|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)|(2S)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile|(S)-alpha-(beta-D-Glucopyranosyloxy)-3-hydroxybenzeneacetonitrile|BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-, (.ALPHA.S)-|BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-, (S)-|(2S)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile|BENZENEACETONITRILE, ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-, (ALPHAS)-|(2S)-2-(3-hydroxyphenyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyacetonitrile|(2S)-2-(3-hydroxyphenyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-acetonitrile|(2S)-2-(3-hydroxyphenyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

Molecular Formula	C14H17NO7
Molecular Weight	311.1005 g/mol
LogP	-0.9
Topological Polar Surface Area	143.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	311.1005
Monoisotopic Mass	311.1005
Heavy Atoms	22
Complexity	411.0

Chemical Identifiers

CAS Number	645-02-3
SMILES	C1=CC(=CC(=C1)O)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey	KCVXNPDAHDGXFD-YOVYLDAJSA-N