Cas no 34793-09-4 (2-amino-9-[3,5-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one)

2-amino-9-[3,5-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one structure
34793-09-4 structure
Product Name:2-amino-9-[3,5-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one
CAS No:34793-09-4
MF:C13H17N5O5
MW:323.304582357407
CID:882751
PubChem ID:135478876
Update Time:2025-04-19

2-amino-9-[3,5-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one Chemical and Physical Properties

Names and Identifiers

    • 2-amino-9-[3,5-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one
    • Inchi: 1S/C13H17N5O5/c1-13(2)21-3-5-8(23-13)7(19)11(22-5)18-4-15-6-9(18)16-12(14)17-10(6)20/h4-5,7-8,11,19H,3H2,1-2H3,(H3,14,16,17,20)
    • InChI Key: VDVHAPVSQCJZHA-UHFFFAOYSA-N
    • SMILES: O1C(C(C2C1COC(C)(C)O2)O)N1C=NC2C(NC(N)=NC1=2)=O

Computed Properties

  • Exact Mass: 323.12311
  • Monoisotopic Mass: 323.122969
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 555
  • 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
  • Topological Polar Surface Area: 133
  • XLogP3: -1.7

Experimental Properties

  • Density: 1.93
  • Boiling Point: 666.3°C at 760 mmHg
  • Flash Point: 356.8°C
  • Refractive Index: 1.828
  • PSA: 133.22
  • LogP: -0.30720
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