Cas no 16006-62-5 (9H-Purine,6-ethyl-9-b-D-ribofuranosyl-)

9H-Purine,6-ethyl-9-b-D-ribofuranosyl- structure
16006-62-5 structure
Product Name:9H-Purine,6-ethyl-9-b-D-ribofuranosyl-
CAS No:16006-62-5
MF:C12H16N4O4
MW:280.279842376709
CID:236269
PubChem ID:351032
Update Time:2025-04-19

9H-Purine,6-ethyl-9-b-D-ribofuranosyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-ethyl-9-b-D-ribofuranosyl-
    • 2-(6-ethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • (2R,3R,4S,5R)-2-(6-ethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • AC1L6XIB
    • AGN-PC-00KVGX
    • NSC518045
    • Ribofuranosyl-6-aethylpurin
    • 16006-62-5
    • NSC-518045
    • 9H-Purine, 6-ethyl-9-(beta-d-ribofuranosyl)-
    • DTXSID80325783
    • Inchi: 1S/C12H16N4O4/c1-2-6-8-11(14-4-13-6)16(5-15-8)12-10(19)9(18)7(3-17)20-12/h4-5,7,9-10,12,17-19H,2-3H2,1H3
    • InChI Key: AGKGZTUSZIPPRS-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(C(C1N1C=NC2C(CC)=NC=NC1=2)O)O

Computed Properties

  • Exact Mass: 280.11728
  • Monoisotopic Mass: 280.11715500g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 347
  • 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: 0.1
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • PSA: 113.52
  • LogP: -0.99980
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