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Screening compounds

Linustatin

Also known as 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-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanenitrile, Propanenitrile, 2-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-methyl-

CAS 72229-40-4Formula C16H27NO11Molar mass 409.39 g/molEC 889-208-8
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Linustatin chemical structure, C16H27NO11, CAS 72229-40-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72229-40-4
Formula
C16H27NO11
Molar mass
409.39 g/mol
EC number
889-208-8
HS code
293299
Category
Screening compounds

What is Linustatin?

Plain description, key identifiers and synonyms

Linustatin is a cyanogenic glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
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
CAS number
72229-40-4 CAS number cross-checked
EC number
889-208-8
Molecular formula
C16H27NO11
UNII
R6U3BE2AC7
InChIKey
FERSMFQBWVBKQK-CXTTVELOSA-N
InChI
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
Canonical SMILES
CC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Isomeric SMILES
CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O

Synonyms

  • 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-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanenitrile
  • 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-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxypropanenitrile
  • 2-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methylpropanenitrile
  • 2-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-methylpropanenitrile
  • 2-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropanenitrile
  • [2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropiononitrile)]
  • 2-[(6-O-ss-D-Glucopyranosyl-ss-D-glucopyranosyl)oxy]-2-methyl-propanenitrile

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
409.39 g/molcalc.
Exact mass
409.1584 Dacalc.
LogP (octanol/water)
-4.07calc.
Topological polar surface area
202.3 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(COC2CCCCO2)OC1

C1CCC(COC2CCCCO2)OC1

2 rings, 14 atoms.

200 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Linustatin suppliers

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Linustatin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Linustatin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Linustatin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Linustatin, based on the data on this page

What is Linustatin?

Linustatin is a cyanogenic glycoside.

What is the CAS number of Linustatin?

The CAS registry number of Linustatin is 72229-40-4.

What is the molecular formula and weight of Linustatin?

The molecular formula of Linustatin is C16H27NO11 and its molar mass is 409.39 g/mol.

What is Linustatin used for?

Known uses and roles of Linustatin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Linustatin hazardous?

No GHS hazard classification for Linustatin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Linustatin?

Linustatin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Linustatin?

Post a free request on CompoundList and suppliers of Linustatin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Linustatin?

Suppliers quote Linustatin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Linustatin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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