Cas no 22144-55-4 ( )

  structure
  structure
Product Name: 
CAS No:22144-55-4
MF:C12H20O6
MW:260.283604621887
CID:912224
PubChem ID:291610
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
    • 2,3-O-cyclohexylidene-myo-inositol
    • (3aR,4S,5R,6R,7S,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
    • NSC156930
    • spiro(2,4-dioxabicyclo[4.3.0]nonane-3,1'-cyclohexane)-6,7,8,9-tetrol
    • DTXSID40944792
    • D-myo-Inositol-2,3-O-cyclohexylidene
    • Hexahydrospiro[benzo[d][1,3]dioxole-2,1'-cyclohexane]-4,5,6,7-tetraol
    • AKOS025117221
    • 22144-55-4
    • hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
    • NSC-156930
    • 57029-87-5
    • AQ-364/41885122
    •  
    • Inchi: 1S/C12H20O6/c13-6-7(14)9(16)11-10(8(6)15)17-12(18-11)4-2-1-3-5-12/h6-11,13-16H,1-5H2
    • InChI Key: SOONKKMMJCQOLI-UHFFFAOYSA-N
    • SMILES: O1C2(CCCCC2)OC2C(C(C(C(C12)O)O)O)O

Computed Properties

  • Exact Mass: 260.126
  • Monoisotopic Mass: 260.12598835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.1
  • Topological Polar Surface Area: 99.4?2

Experimental Properties

  • PSA: 99.38
  • LogP: -1.11200
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