Cas no 35535-43-4 (3-Hydroxybutyl glucosinolate)

3-Hydroxybutyl glucosinolate structure
3-Hydroxybutyl glucosinolate structure
Product Name:3-Hydroxybutyl glucosinolate
CAS No:35535-43-4
MF:C11H21NO10S2
MW:391.415141820908
CID:2016480
Update Time:2025-04-21

3-Hydroxybutyl glucosinolate Chemical and Physical Properties

Names and Identifiers

    • 3-Hydroxybutyl glucosinolate
    • Inchi: 1S/C11H21NO10S2/c1-5(14)2-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h5-6,8-11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-7+
    • InChI Key: ILTFVMUFIPWFNK-KPKJPENVSA-N
    • SMILES: CC(CC/C(=N\OS(=O)(=O)O)/SC1C(O)C(O)C(O)C(CO)O1)O

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 24
  • XLogP3: -2.546
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