Cas no 10300-24-0 (9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI))

9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI) structure
10300-24-0 structure
Product Name:9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI)
CAS No:10300-24-0
MF:C15H18N4O6S
MW:382.391622066498
CID:232813
PubChem ID:4023630
Update Time:2025-04-19

9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI) Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI)
    • [4-acetyloxy-3-methoxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
    • 9-(2,5-di-O-acetyl-3-O-methylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
    • AC1N2L79
    • NSC106543
    • O2',O5'-diacetyl-O3'-methyl-6-thio-inosine
    • DTXSID90398605
    • NSC-106543
    • 10300-24-0
    • Inchi: 1S/C15H18N4O6S/c1-7(20)23-4-9-11(22-3)12(24-8(2)21)15(25-9)19-6-18-10-13(19)16-5-17-14(10)26/h5-6,9,11-12,15H,4H2,1-3H3,(H,16,17,26)
    • InChI Key: WXKATFNIWVHVSU-UHFFFAOYSA-N
    • SMILES: S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(COC(C)=O)O1)OC)OC(C)=O

Computed Properties

  • Exact Mass: 382.09484
  • Monoisotopic Mass: 382.09470548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 617
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 145?2

Experimental Properties

  • PSA: 113.27
  • LogP: 0.89610
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