Cas no 51876-12-1 ([2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl-)

[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl- structure
51876-12-1 structure
Product Name:[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl-
CAS No:51876-12-1
MF:C22H14O7
MW:390.342366695404
CID:361180
PubChem ID:136276925
Update Time:2025-04-19

[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl-
    • 5,8-dihydroxy-6-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
    • 1',4',5-Trihydroxy-3',7-dimethyl[2,2'-binaphthalene]-1,4,5',8'-tetrone
    • 51876-12-1
    • DTXSID40789307
    • Inchi： 1S/C22H14O7/c1-8-5-10-17(14(25)6-8)15(26)7-11(21(10)28)16-9(2)20(27)18-12(23)3-4-13(24)19(18)22(16)29/h3-7,25-26,28H,1-2H3
    • InChI Key： UXDVKZVNMPFURQ-UHFFFAOYSA-N
    • SMILES： OC1C2C=C(C)C=C(C=2C(=CC=1C1C(C2C(C=CC(C=2C(C=1C)=O)=O)=O)=O)O)O

Computed Properties

  • Exact Mass: 390.07392
  • Monoisotopic Mass: 390.07395278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 1
  • Complexity: 921
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • PSA: 128.97

[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl- Related Literature

Related Categories

51876-12-1 ([2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5',8-trihydroxy-3,7'-dimethyl-) Related Products

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