Cas no 52562-36-4 (9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine)

9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine structure
52562-36-4 structure
Product Name:9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine
CAS No:52562-36-4
MF:C11H15N5O4
MW:281.267901659012
CID:2621224
Update Time:2023-08-07

9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine Chemical and Physical Properties

Names and Identifiers

    • NSC100044
    • O6-Methyl-deoxyguanosine
    • 9-(2-deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine
    • NCI60_000001
    • 9-(2-Deoxypentofuranosyl)-6-methoxy-3,9-dihydro-2H-purin-2-imine
    • 5-(2-amino-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
    • 9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine
    • Inchi: 1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)
    • InChI Key: BCKDNMPYCIOBTA-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(CC1N1C=NC2C(=NC(N)=NC1=2)OC)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 349
  • XLogP3: 0.1
  • Topological Polar Surface Area: 129
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