Products 5187-84-8

CAS 5187-84-8 appears in our catalog under these names: Neoglucobrassicin potassium, Neoglucobrassicin, Neoglucobrassicin potassium salt. Offered by: Biosynth, MedChemExpress, HPC Standards. Available pack sizes: 10mg, Get quote, 5mg.

Neoglucobrassicin potassium
Biosynth
  • size: 10mg
  • Variants: 1
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Neoglucobrassicin
MedChemExpress
  • size: Get quote
  • Variants: 1
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Neoglucobrassicin potassium salt
HPC Standards
  • size: 5mg
  • Variants: 1
from 3122.06
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Structural formula: {0} (CAS {1})

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate (CAS 5187-84-8) is a chemical compound with the molecular formula C17H22N2O10S2 and a molecular weight of 478.5 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate. InChIKey: PKKMITFKYRCCOL-CMZRPVNOSA-N.

Identity
Molecular formulaC17H22N2O10S2
Molecular weight478.5 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
InChIKeyPKKMITFKYRCCOL-CMZRPVNOSA-N
SMILESCON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Neoglucobrassicin, nGBS cpd, orb1682034, 1-S-[2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose
Isomers (same molecular formula)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate C17H22N2O10S2