Cas no 18520-89-3 (9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI))

9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI) structure
18520-89-3 structure
Product Name:9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI)
CAS No:18520-89-3
MF:C10H12N4O4S
MW:284.291680335999
CID:195721
PubChem ID:3927371
Update Time:2025-04-19

9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI) Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI)
    • 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
    • AC1MS6T8
    • NSC360641
    • 9-Pentopyranosyl-9H-purine-6-thiol
    • NSC107661
    • NSC-107661
    • NSC115604
    • 2-(6-sulfanylpurin-9-yl)oxane-3,4,5-triol
    • DTXSID70939939
    • 18520-89-3
    • SCHEMBL6671806
    • 18520-79-1
    • NSC-115604
    • Inchi: 1S/C10H12N4O4S/c15-4-1-18-10(7(17)6(4)16)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)
    • InChI Key: BPIINOQXEGAJIX-UHFFFAOYSA-N
    • SMILES: S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(CO1)O)O)O

Computed Properties

  • Exact Mass: 284.05806
  • Monoisotopic Mass: 284.05792605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 409
  • 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: -1.2
  • Topological Polar Surface Area: 144?2

Experimental Properties

  • PSA: 112.13
  • LogP: -0.89960
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