Cas no 72229-40-4 (Linustatin)

Linustatin is a cyanogenic diglucoside naturally occurring in flaxseed (Linum usitatissimum). It is a precursor to hydrogen cyanide (HCN) and plays a role in plant defense mechanisms. Chemically, it consists of a cyanohydrin moiety bound to two glucose units, making it a stable, water-soluble compound. Linustatin is of interest in biochemical and pharmacological research due to its potential role in cyanide metabolism and detoxification pathways. Its structural properties also make it a subject of study in plant biochemistry and natural product chemistry. The compound is typically isolated via chromatographic techniques and characterized using spectroscopic methods such as NMR and mass spectrometry.

Linustatin structure

Product Name:Linustatin

CAS No:72229-40-4

MF:C₁₆H₂₇NO₁₁

MW:409.385686159134

CID:565987

PubChem ID:119301

Update Time:2025-10-17

Linustatin Chemical and Physical Properties

Names and Identifiers

- Propanenitrile,2-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-2-methyl-
- Linustatin
- LINUSTATIN(P)
- LINUSTATIN(P) PrintBack
- 2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile
- 2-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methylpropanenitrile
- Propanenitrile, 2-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methyl-
- 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6
- 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propanenitrile
- 72229-40-4
- AKOS040752591
- 2-[(6-O-Hexopyranosylhexopyranosyl)oxy]-2-methylpropanenitrile
- 2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)propanenitrile
- 2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl tetrahydro-2H-pyran-2-yl)oxy)propanenitrile
- [2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropiononitrile)]
- HY-129385
- CS-0105141
- Q27107219
- CHEBI:6483
- C08333
- AC1Q4QUT
- 2-methyl-2-[(2S,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]oxypropanenitrile
- DTXSID80992959
- DA-64987
- 2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-propanenitrile
- 2-methyl-2-((2S,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)oxypropanenitrile
- G69401
- (2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropiononitrile))
- 2-[(6-O-ss-D-Glucopyranosyl-ss-D-glucopyranosyl)oxy]-2-methyl-propanenitrile
- Inchi： 1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
- InChI Key： FERSMFQBWVBKQK-CXTTVELOSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC(C#N)(C)C

Computed Properties

Exact Mass: 409.15841068 g/mol
Monoisotopic Mass: 409.15841068 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 7
Hydrogen Bond Acceptor Count: 12
Heavy Atom Count: 28
Rotatable Bond Count: 6
Complexity: 566
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 10
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Molecular Weight: 409.39
XLogP3: -3.8
Topological Polar Surface Area: 202

Linustatin Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	L214185-1mg	Linustatin	72229-40-4		1mg	$ 140.00	2022-06-04
TRC	L214185-2.5mg	2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl tetrahydro-2H-pyran-2-yl)oxy)propanenitrile	72229-40-4		2.5mg	$173.00	2023-05-18
TRC	L214185-5mg	Linustatin	72229-40-4		5mg	$ 465.00	2022-06-04
Chengdu Biopurify Phytochemicals Ltd	BP4497-20mg	Linustatin	72229-40-4	98%	20mg	$490	2023-09-19
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Chengdu Biopurify Phytochemicals Ltd	BP4497-5mg	Linustatin	72229-40-4	98%	5mg	$165	2023-09-19
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