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Glycosides and other natural products

Proacacipetalin

Also known as 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (S)-, (2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile, (2S)-2-(beta-D-Glucopyranosyloxy)-3-methylbut-3-enenitrile

CAS 66871-89-4Formula C11H17NO6Molar mass 259.26 g/mol
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Proacacipetalin chemical structure, C11H17NO6, CAS 66871-89-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66871-89-4
Formula
C11H17NO6
Molar mass
259.26 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Proacacipetalin?

Plain description, key identifiers and synonyms

Proacacipetalin is a cyanogenic glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
CAS number
66871-89-4 CAS number cross-checked
Molecular formula
C11H17NO6
InChIKey
KVHIMSJVFJPBKJ-MPVQUNCYSA-N
InChI
InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1
Canonical SMILES
C=C(C)C(C#N)OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
CC(=C)[C@@H](C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Synonyms

  • 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (S)-
  • (2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
  • (2S)-2-(beta-D-Glucopyranosyloxy)-3-methylbut-3-enenitrile
  • (2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-3-enenitrile

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
259.26 g/molcalc.
Exact mass
259.1056 Dacalc.
LogP (octanol/water)
-1.73calc.
Topological polar surface area
123.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 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.

Proacacipetalin suppliers

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Proacacipetalin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Proacacipetalin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Proacacipetalin?

Proacacipetalin is a cyanogenic glycoside.

What is the CAS number of Proacacipetalin?

The CAS registry number of Proacacipetalin is 66871-89-4.

What is the molecular formula and weight of Proacacipetalin?

The molecular formula of Proacacipetalin is C11H17NO6 and its molar mass is 259.26 g/mol.

Is Proacacipetalin hazardous?

No GHS hazard classification for Proacacipetalin 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 Proacacipetalin?

Proacacipetalin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Proacacipetalin?

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

What is the price of Proacacipetalin?

Suppliers quote Proacacipetalin 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 Proacacipetalin

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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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