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Djenkolic acid

Djenkolic acid structure

Djenkolic acid 

structure
  • CAS No:

    498-59-9

  • Formula:

    C7H14N2O4S2

  • Chemical Name:

    Djenkolic acid

  • Synonyms:

    L-Cysteine,S,S′-methylenebis-;Alanine,3,3′-(methylenedithio)di-,L-;Djenkolic acid;Alanine,3,3′-(methylenedithio)di-;S,S′-Methylenebis[L-cysteine];3,3′-Methylenedithiobis(2-aminopropanoic acid);β,β′-Methylenedithiodialanine;L-Djenkolic acid;NSC 76076;13117-51-6;25717-42-4;50584-55-9

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

ChEBI: A dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene.


L-djenkolic acid is a dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. It has a role as a plant metabolite and a toxin. It is a dithioacetal, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid.

Djenkolic acid Basic Attributes

254.32700

254.33

207-863-4

3QHC9R0YFZ

DTXSID80198075

2930909090

Characteristics

177.24000

0.63470

1.501g/cm3

325 °C (decomp)

515.4ºC at 760 mmHg

265.5ºC

-65 ° (C=1, 1mol/L HCl)

5g/L(100 ºC)

5.2E-12mmHg at 25°C

Safety Information

1993

3

R10:Flammable.

S24/25

Drug Information

djenkolic acid

Computed Properties

Molecular Weight:254.3
XLogP3:-5.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:254.03949928
Monoisotopic Mass:254.03949928
Topological Polar Surface Area:177
Heavy Atom Count:15
Complexity:205
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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    CAS No.: 498-59-9
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