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Glycosides and other natural products

Dhurrin

Also known as (S)-4-Hydroxymandelonitrile beta-D-glucoside, (2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile, (2S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile

CAS 499-20-7Formula C14H17NO7Molar mass 311.29 g/molEC 207-878-6
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Dhurrin chemical structure, C14H17NO7, CAS 499-20-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
499-20-7
Formula
C14H17NO7
Molar mass
311.29 g/mol
EC number
207-878-6
HS code
293890
Category
Glycosides and other natural products

What is Dhurrin?

Plain description, key identifiers and synonyms

(S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a nitrile, a beta-D-glucoside, a cyanogenic glycoside and a monosaccharide derivative. It is functionally related to a (S)-prunasin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
CAS number
499-20-7 CAS number cross-checked
EC number
207-878-6
Molecular formula
C14H17NO7
UNII
P5999IY65C
MDL number
MFCD18632527
InChIKey
NVLTYOJHPBMILU-YOVYLDAJSA-N
InChI
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
Canonical SMILES
N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1
Isomeric SMILES
C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

Synonyms

  • (S)-4-Hydroxymandelonitrile beta-D-glucoside
  • (2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
  • (2S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
  • (alphaS)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
  • (S)-p-Hydroxymandelnitrile-beta-D-glucopyranoside
  • (2S)-2-(4-hydroxyphenyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyacetonitrile
  • (S)-(beta-D-Glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
  • Dhurrin, >=95% (HPLC)
  • 4-Hydroxymandelonitrile-?-D-glucoside
  • (S)-4-hydroxymandelonitrile-beta-D-glucoside
  • p-hydroxy-S-mandelonitrile-beta-D-glucopyranoside
  • beta-D-glucopyranosyloxy-(S)-p-hydroxymandelonitrile
  • beta-d-glucopyranosyloxy-l-p-hydroxymandelonitrile
  • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-4-hydroxy-, (alphaS)-
  • (.Alpha.s)-alpha-(beta-d-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
  • (2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]acetonitrile
  • (S)-2-(4-hydroxyphenyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile

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
311.29 g/molcalc.
Exact mass
311.1005 Dacalc.
LogP (octanol/water)
-1.23calc.
Topological polar surface area
143.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, c1ccc(COC2CCCCO2)cc1

c1ccc(COC2CCCCO2)cc1

2 rings, 14 atoms, the 2-Benzyloxytetrahydropyran ring system.

223 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Dhurrin suppliers

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  • Extrasynthese
    FranceUnclaimed profile
    DhurrinGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Dhurrin 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 Dhurrin 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 Dhurrin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dhurrin?

(S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a nitrile, a beta-D-glucoside, a cyanogenic glycoside and a monosaccharide derivative. It is functionally related to a (S)-prunasin.

What is the CAS number of Dhurrin?

The CAS registry number of Dhurrin is 499-20-7.

What is the molecular formula and weight of Dhurrin?

The molecular formula of Dhurrin is C14H17NO7 and its molar mass is 311.29 g/mol.

Is Dhurrin hazardous?

Dhurrin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dhurrin?

Dhurrin 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 Dhurrin?

CompoundList lists 1 supplier of Dhurrin in France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dhurrin?

Suppliers quote Dhurrin 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

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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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