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Chemical structure of 11-(Methylsulfinyl)undecyl-glucosinolate

GC71874

11-(Methylsulfinyl)undecyl-glucosinolate

Also known as [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-12-methylsulfinyl-N-sulfooxydodecanimidothioate

11-(Methylsulfinyl)undecyl-glucosinolate is an aliphatic glucosinolate

ChemicalCAS186037-18-3MW535.69FormulaC19H37NO10S3
CAS number
186037-18-3
Molecular weight
535.69
Formula
C19H37NO10S3
InChIKey
ZXUVJMBTZIUKJG-YAPXXNHMSA-N
Catalogue number
GC71874
Brand
GLPBIO
Computed properties PubChem CID 162639119 · XLogP 1.5 · TPSA 236 Ų · H-bond donors 5
XLogP
1.5
TPSA
236 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
17
Heavy atoms
33

SMILES CS(=O)CCCCCCCCCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Computed descriptors from PubChem (CID 162639119), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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