Cas no 220736-88-9 (5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-)

5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy- structure
220736-88-9 structure
Product Name:5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-
CAS No:220736-88-9
MF:C18H10O8
MW:354.3
CID:276126
PubChem ID:9819966
Update Time:2024-03-01

5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy- Chemical and Physical Properties

Names and Identifiers

    • 5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-
    • BM 2419-1
    • BM 2419-DP
    • BM-2419-1
    • CHEBI:214837
    • SCHEMBL8377685
    • 220736-88-9
    • DTXSID901243462
    • 1,3,6,8,10,11-hexahydroxytetracene-5,12-dione
    • 1,3,6,8,10,11-Hexahydroxy-5,12-naphthacenedione
    • Inchi: 1S/C18H10O8/c19-5-1-7-11(9(21)3-5)17(25)14-13(15(7)23)16(24)8-2-6(20)4-10(22)12(8)18(14)26/h1-4,19-23,25H
    • InChI Key: PHYUQMBGSCMYTB-UHFFFAOYSA-N
    • SMILES: C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=C2C(C=C(O)C=C2O)=C3O)=CC(O)=C1

Computed Properties

  • Exact Mass: 354.03756727g/mol
  • Monoisotopic Mass: 354.03756727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 608
  • 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: 156?2
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