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ChemicalBook--->CAS DataBase List--->556-27-4

556-27-4

556-27-4 Structure

556-27-4 Structure
IdentificationMore
[Name]

(S)-3-(Allylsulphinyl)-L-alanine
[CAS]

556-27-4
[Synonyms]

3-(2-PROPENYLSUFINYL)ALANINE
(+)-3-(2-PROPENYLSULFINYL) ALANINE
3-(2-PROPENYLSULFINYL)ALANINE
ALLIIN
L(+) ALLIIN
L(+/-) ALLIIN
(S)-3-(ALLYLSULFINYL)-L-ALANINE
(S)-S-ALLYL-L-CYSTEINE SULFOXIDE
(S)-3-(allylsulphinyl)-L-alanine
S-Allyl-L-cysteine Sulfoxide
ALLIIN(P)
ALLIIN hplc
(2R)-2-Amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
ALLIIN WITH HPLC
L-Alliin 556-27-4
3-(Allylsulfinyl)-L-alanine, (S)-
L-Alanine, 3-[(S)-2-propenylsulfinyl]-
[EINECS(EC#)]

209-118-9
[Molecular Formula]

C6H11NO3S
[MDL Number]

MFCD01311056
[Molecular Weight]

177.22
[MOL File]

556-27-4.mol
Chemical PropertiesBack Directory
[Melting point ]

164-166° (effervescence)
[alpha ]

D20 +63.5° (c = 2)
[Boiling point ]

416.1±45.0 °C(Predicted)
[density ]

1.205 (estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

−20°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

solid
[pka]

1.88±0.10(Predicted)
[color ]

White to off-white
[Merck ]

13,259
[InChI]

InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/s3
[InChIKey]

XUHLIQGRKRUKPH-DYEAUMGKSA-N
[SMILES]

C(O)(=O)[C@H](C[S@](CC=C)=O)N |&1:3,5,r|
[LogP]

-0.478 (est)
[CAS DataBase Reference]

556-27-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

8-10
[HS Code ]

29309090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Alliin(556-27-4).msds
Hazard InformationBack Directory
[Uses]

antibacterial, antioxidant
[Definition]

ChEBI: An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.
[target]

PPAR | TNF-α | IL Receptor | NF-kB | SOD | NADPH-oxidase | ROS
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-(Allylsulphinyl)-L-alanine(556-27-4)MS
(S)-3-(Allylsulphinyl)-L-alanine(556-27-4)IR1
(S)-3-(Allylsulphinyl)-L-alanine(556-27-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

556-27-4(sigmaaldrich)
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