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D- (-) -Amygdalin

CAT: 0203-02707-71Size: 1 gDry Ice: NoHazardous: No
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CAT#:0203-02707-71Size:1 g
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CAS Number
29883-15-6
Purity
≧ 98.0% (HPLC)
Storage Conditions
Room Temperature
Grade
GR (Guaranteed Reagent)

Chemical Information

Amygdalin

(R)-amygdalin is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is functionally related to a (R)-mandelonitrile.

CAS Number29883-15-6
PubChem CID656516
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 FormulaC20H27NO11
Molecular Weight457.4
XLogP-2.7
Topological Polar Surface Area202
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity638
SMILES
C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](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
InChIKey
XUCIJNAGGSZNQT-JHSLDZJXSA-N
Chemical Structure
2D Structure
2D structure of Amygdalin
CAS: 29883-15-6
CID: 656516
Formula: C20H27NO11
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP3-2.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass457.15841068
Monoisotopic Mass457.15841068
Topological Polar Surface Area202 Ų
Heavy Atom Count32
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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