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Linamarin

CAT: 0013-GTR19154339-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154339-01Size:5 mg
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Description
Linamarin
CAS Number
554-35-8
Field of Research
Neuroscience
Purity
>98%
Bioactivity
Neurotoxic cyanogenic glycoside
Form
Powder
Solubility
Soluble in DMSO, Methanol, and Ethanol
Molecular Formula
C10H17NO6
Molecular Weight
247.2
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2- (β-D-Glucopyranosyloxy) -2-methyl-propanenitrile

Chemical Information

Linamarin

Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile.

CAS Number554-35-8
PubChem CID11128
IUPAC Name2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
Molecular FormulaC10H17NO6
Molecular Weight247.24
XLogP-1.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity311
SMILES
CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey
QLTCHMYAEJEXBT-ZEBDFXRSSA-N
Chemical Structure
2D Structure
2D structure of Linamarin
CAS: 554-35-8
CID: 11128
Formula: C10H17NO6
MW: 247.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.24
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass247.10558726
Monoisotopic Mass247.10558726
Topological Polar Surface Area123 Ų
Heavy Atom Count17
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
2749-25Linamarin
TBI2713-25MGLinamarin, Neurotoxic cyanogenic glycoside
TSW-00463-012,3,4,6-Tetra-O-acetyl linamarin
MBS6079504-01Linamarin (2-(b-D-Glucopyranosyloxy)-2-methyl-propanenitrile, Phaseolunatin)
L2288Linamarin (2- (b-D-Glucopyranosyloxy) -2-methyl-propanenitrile, Phaseolunatin)
MBS6046772-012,3,4,6-Tetra-O-acetyl Linamarin (2- (2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyloxy) isobutyronitrile)

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