Glucoraphanin | CAS No. 21414-41-5

Glucoraphanin

Basic Information

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CAS Number

21414-41-5

Molecular Formula

C12H23NO10S3

Molecular Weight

437.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8-/t7-,9-,10+,11-,12+,25?/m1/s1

InChIKey

GMMLNKINDDUDCF-BYNGITTOSA-N

LogP

-1.7987999999999982

Topological Polar Surface Area

183.17999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

593

Synonyms & References

English

Sulforaphane glucosinolate
AC-34412
HY-N4068
21414-41-5
SCHEMBL16653150
Glucorafanin
DTXSID90894071
DB15436
CCRIS 9055
RAA
MFCD08460269
Glucoraphani potassium salt
(((5-(Methylsulfinyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pentylidene)amino)oxy)sulfonic acid
Glucoraphanin
A879116
4-methylsulfinylbutyl glucosinolate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
4-(methylsulfinyl)butyl glucosinolate
CS-7914
AKOS015951184
b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfinyl)-N-(sulfooxy)pentanimidate]
GLUCORAPHANIN POTASSIUM SALT
4-(methylsulfinyl)butyl-glucosinolate
4-Methylsulphinylbutyl glucosinolate
GLUCORAPHANIN POTASSIUM SALT(RG)
C08419
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 5-methylsulfinyl-N-sulfooxy-pentanimidothioate
5-methylsulfinyl-N-sulfoxy-thiovalerimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
C12H23NO10S3
0886AB

MDL Number

MFCD08460269

Customs Code

2932999099

FAQ

What is Glucoraphanin (CAS: 21414-41-5)?

Glucoraphanin is a naturally occurring compound found in cruciferous vegetables like broccoli and kale. Its chemical formula is C12H17NO7S2, and it is a sulfur-containing glucosinolate. It is known for its potential health benefits and is often studied for its bioactive properties, including antioxidant and anti-inflammatory effects.

What are the main uses of Glucoraphanin (CAS: 21414-41-5)?

Glucoraphanin is primarily used in research for its health-promoting properties, particularly as a precursor to sulforaphane. It has applications in pharmaceutical development, dietary supplements, and functional food products. Additionally, it is studied in the food industry for its role in enhancing the nutritional value of plant-based diets.

Is Glucoraphanin (CAS: 21414-41-5) safe?

Glucoraphanin is generally considered safe when consumed in typical dietary amounts. However, as with any chemical, proper handling is recommended during industrial or research use. Safety data suggests it has low toxicity, but protective measures should be taken to avoid prolonged exposure in high concentrations.

How should Glucoraphanin (CAS: 21414-41-5) be stored?

Glucoraphanin should be stored in a cool, dry, and dark place to maintain its stability. It is best kept at temperatures below 25°C and away from moisture and light exposure. Use airtight containers to prevent degradation and contamination, ensuring optimal shelf life and potency.