2-Propenyl glucosinolate
AlkaPlorer ID: AK311247
Synonym: 1-Thio-β-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate], Sinigrin, Allyl glucosinolate, Myronic acid
IUPAC Name: [(Z)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
Structure
SMILES: C=CC/C(=N\OS(=O)(=O)[O-])SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/p-1/b11-6+
InChIKey: PHZOWSSBXJXFOR-IZZDOVSWSA-M
Reference
CAS: 534-69-0
Source
Properties Information
Molecule Weight: 358.37
TPSA？: 168.93999999999997
MolLogP？: -2.1141
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 1
Activities Information
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