Amygdaloside

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

CAS: 96420-61-0

Molecular Formula	`C20H27NO11`
Molecular Weight	457.4 g/mol
LogP	-2.7
Topological Polar Surface Area	202.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	457.15842
Heavy Atoms	32
Complexity	638.0

Chemical Identifiers

CAS Number	96420-61-0
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`
InChIKey	`XUCIJNAGGSZNQT-SWRVSKMJSA-N`

📖 Product Overview

Amygdaloside (CAS: 96420-61-0) is a chemical compound with molecular formula C20H27NO11 and molecular weight 457.4 g/mol. Its IUPAC systematic name is 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. LogP -2.7 Topological Polar Surface Area 202.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 12 Rotatable Bonds 7 Exact Mass 457.15842 Heavy Atoms 32 Complexity 638.0 InChI Key: XUCIJNAGGSZNQT-SWRVSKMJSA-N. 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.

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