Benzeneacetonitrile,a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-

Catalog Number

ACM51371347

Product Name

Benzeneacetonitrile,a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-

Structure

CAS

51371-34-7

Category

Heterocyclic Organic Compound

Synonyms

Isoamygdalin, amygdalin, D,L-Amygdalin, NSC 251222, CID39999, LS-89181, D,L-MANDELONITRILE, beta-D-GENTIOBIOSIDE, D,L-Mandelonitrile beta-D-glucosido-6-beta-glucoside, Benzeneacetonitrile, alpha-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, Benzeneacetonitrile, alpha-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)- (9CI), 51371-34-7

IUPAC Name

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

Molecular Weight

457.48

Molecular Formula

C₂₀H₂₇NO₁₁

Canonical SMILES

C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O

InChI Key

XUCIJNAGGSZNQT-TUOMJYDBSA-N

Boiling Point

743.3ºC at 760mmHg

Melting Point

223-226ºC

Flash Point

403.3ºC

Density

1.59g/cm³

EC Number

249-925-3

Exact Mass

457.15800

H-Bond Acceptor

12

H-Bond Donor

7

MSDS

COA

Spec Sheet