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Chemical structure of Glucotropaeolin (potassium)

GC43771

Glucotropaeolin (potassium)

Also listed as Glucotropaeolin (potassium salt)

Glucotropaeolin (potassium salt) (Benzylglucosinolate potassium) , a glucosinolate contained in cruciferous vegetables, causes a moderate decrease in spontaneous DNA damage in animals

ChemicalCAS5115-71-9MW447.5FormulaC14H18NO9S2•K
CAS number
5115-71-9
Molecular weight
447.5
Formula
C14H18NO9S2•K
Solubility
DMSO： 1 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
UYCWNAZWHVREMO-XLUSCXMISA-M
Catalogue number
GC43771
Brand
GLPBIO
Computed properties PubChem CID 23698846 · TPSA 203 Ų · H-bond donors 4 · H-bond acceptors 11
TPSA
203 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
27

SMILES C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O.[K+]

Computed descriptors from PubChem (CID 23698846), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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