Cas no 13917-35-6 (2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione)

2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione structure
13917-35-6 structure
Product Name:2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
CAS No:13917-35-6
MF:C39H60O8
MW:656.888913154602
CID:1272901
PubChem ID:417291
Update Time:2025-04-20

2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione Chemical and Physical Properties

Names and Identifiers

    • 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
    • Bis-&lt
    • 2.5-dihydroxy-3.6-dioxo-4-tridecyl-3.6-dihydro-phenyl&gt
    • -methan
    • 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-
    • 5,5'-Methylen-bis&lt
    • 3,6-dihydroxy-2-n-tridecyl-benzochinon-(1,4)&gt
    • ARDISIN
    • Bis-(2,5-dihydroxy-4-tridecyl-3,6-benzochinon-1-yl)-methan
    • AC1L9DA4
    • 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis[3,6-dihydroxy-5-tridecyl-
    • NSC88927
    • Bis-< 2.5-dihydroxy-3.6-dioxo-4-tridecyl-3.6-dihydro-phenyl> -methan; 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-; 5,5'-Methylen-bis< 3,6-dihydroxy-2-n-tridecyl-benzochinon-(1,4)> ; ARDISIN; Bis-(2,5-dihydroxy-4-tridecyl-3,6-benzochinon-1-yl)-methan; AC1L9DA4; 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis[3,6-dihydroxy-5-tridecyl-; NSC88927;
    • NSC-88927
    • 13917-35-6
    • 2,2'-Methylenebis(3,6-dihydroxy-5-tridecyl-2,5-cyclohexadiene-1,4-dione)
    • NSC 88927
    • CHEMBL1981599
    • DTXSID00160951
    • 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecyl-1,4-benzoquinone
    • P-BENZOQUINONE, 2,2'-METHYLENEBIS(3,6-DIHYDROXY-5-TRIDECYL-
    • UNII-MRU4UWP81Z
    • MRU4UWP81Z
    • Inchi： 1S/C39H60O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-32(40)36(44)30(37(45)33(28)41)27-31-38(46)34(42)29(35(43)39(31)47)26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42,45,47H,3-27H2,1-2H3
    • InChI Key： UJRBGYWAIIVDNE-UHFFFAOYSA-N
    • SMILES： OC1C(C(=C(C(C=1CCCCCCCCCCCCC)=O)O)CC1C(C(=C(C(C=1O)=O)CCCCCCCCCCCCC)O)=O)=O

Computed Properties

  • Exact Mass: 656.429
  • Monoisotopic Mass: 656.42881887g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 26
  • Complexity: 1110
  • 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: 13
  • Topological Polar Surface Area: 149?2

Experimental Properties

  • PSA: 149.2
  • LogP: 10.33070

2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione Related Literature

13917-35-6 (2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione) Related Products

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