Amygdalin

CAS	29883-15-6
Structure
Synonyms	Mandelonitrile-beta-gentiobioside
IUPAC Name	(2R)-2-Phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Molecular Weight	457.43
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	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
InChI Key	XUCIJNAGGSZNQT-JHSLDZJXSA-N
Boiling Point	563.27 °C
Melting Point	223-226 °C
Flash Point	403.3 °C
Purity	98%
Density	1.4474 g/cm³
Refractive Index	-40 ° (C=2, H₂O)
pKa	12.69±0.70(Predicted)
Solubility in Water	83 g/L
Appearance	White to off-white powder