Cas no 3868-35-7 (N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide)

N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide structure
3868-35-7 structure
Product Name:N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide
CAS No:3868-35-7
MF:C12H15N5O6
MW:325.277402162552
CID:923845
PubChem ID:260474
Update Time:2025-04-19

N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide Chemical and Physical Properties

Names and Identifiers

    • N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide
    • 6-(acetylamino)-9-pentofuranosyl-7,9-dihydro-8h-purin-8-one; AR-1G9876; NSC91778; AG-J-27350; AC1L637Y; AC1Q5OGT; 6-N-acetyl-8-oxoadenosine; CTK1C4897;
    • NSC91778
    • NSC-91778
    • 3868-35-7
    • DTXSID50293728
    • Inchi： 1S/C12H15N5O6/c1-4(19)15-9-6-10(14-3-13-9)17(12(22)16-6)11-8(21)7(20)5(2-18)23-11/h3,5,7-8,11,18,20-21H,2H2,1H3,(H,16,22)(H,13,14,15,19)
    • InChI Key： HYPVPPODKIUGFS-UHFFFAOYSA-N
    • SMILES： O1C(CO)C(C(C1N1C(NC2C(NC(C)=O)=NC=NC1=2)=O)O)O

Computed Properties

  • Exact Mass: 325.10235
  • Monoisotopic Mass: 325.10223322g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 493
  • 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: -2.6
  • Topological Polar Surface Area: 157?2

Experimental Properties

  • PSA: 157.14

N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7h-purin-6-yl]acetamide Related Literature

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