Cas no 10089-00-6 (9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)-)

9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)- structure
10089-00-6 structure
Product Name:9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)-
CAS No:10089-00-6
MF:C15H10O8
MW:318.235105037689
CID:172372
PubChem ID:3084060
Update Time:2025-04-19

9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)-
    • 1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)anthracene-9,10-dione
    • 1,2,5,6,8-Pentahydroxy-3-(hydroxymethyl)-9,10-anthracenedione
    • Anthraquinone, 1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)-
    • Q27133084
    • 10089-00-6
    • CHEBI:64161
    • 9,10-Anthracenedione, 1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)-
    • asperthecin
    • DTXSID80143560
    • Inchi： 1S/C15H10O8/c16-3-4-1-5-8(15(23)11(4)19)14(22)9-6(17)2-7(18)13(21)10(9)12(5)20/h1-2,16-19,21,23H,3H2
    • InChI Key： DLOLMYKOOZLTPY-UHFFFAOYSA-N
    • SMILES： OC1=C(C(CO)=CC2C(C3C(=C(C=C(C=3C(C=21)=O)O)O)O)=O)O

Computed Properties

  • Exact Mass: 318.0375
  • Monoisotopic Mass: 318.03756727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 508
  • 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: 1.9
  • Topological Polar Surface Area: 156?2

Experimental Properties

  • PSA: 155.52

9,10-Anthracenedione,1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)- Related Literature

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