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Glucoraphanin potassium salt - ≥98%, high purity , CAS No.21414-41-5

COA

Grade & Purity:

≥98%

Cas Number: 21414-41-5
Molecular Weight: 437.51
PubChem CID: 9548634

In stock

Item Number

G275165

Grouped product items
SKU	Size	Availability	Price
G275165-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
G275165-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$248.90
G275165-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$560.90

Sulforaphane bioprecursor. Cytochrome P450 and phase II conjugation activity modulator.

View related series

Glucose Metabolism (1943) Immunology/Inflammation (1929) Metabolic Enzyme/Protease (4860) Metabolite (5307) NF-κB (747) Reactive Oxygen Species (309)

Basic Description

Synonyms	CCRIS 9055 \| RAA \| 4-methylsulfinylbutyl glucosinolate \| MFCD08460269 \| SCHEMBL16653150 \| DTXSID90894071 \| A879116 \| AKOS015951184 \| AC-34412 \| 4-(methylsulfinyl)butyl glucosinolate \| HY-N4068 \| Glucorafanin \| (((5-(Methylsulfinyl)-1-(((2S,3R,4S,5S,6R)-3,
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Sulforaphane bioprecursor. Cytochrome P450 and phase II conjugation activity modulator. Glucoraphenin analog. Shows chemopreventive and anti-inflammatory effects in vivo. Orally active.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at +4°C. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Monosaccharides
        Level6 Hexoses
        Level7 Glucosinolates
        Level8 Alkylglucosinolates

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Monosaccharides - Hexoses - Glucosinolates
Direct Parent	Alkylglucosinolates
Alternative Parents	Thioglycosides Oxanes Organic sulfuric acids and derivatives Monothioacetals Sulfoxides Secondary alcohols Sulfinyl compounds Sulfenyl compounds Polyols Oxacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Sulfoxide - Sulfinyl compound - Oxacycle - Polyol - Sulfenyl compound - Organoheterocyclic compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
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-RFOBZYEESA-N
Smiles	CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
Isomeric SMILES	CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
PubChem CID	9548634
Molecular Weight	437.51

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in water
Molecular Weight	437.500 g/mol
XLogP3	-2.100
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	437.048 Da
Monoisotopic Mass	437.048 Da
Topological Polar Surface Area	236.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	593.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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