Cas no 26291-78-1 (9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)-)

9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)- structure
26291-78-1 structure
Product Name:9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)-
CAS No:26291-78-1
MF:C12H17N5O4
MW:295.294481992722
CID:283879
PubChem ID:278406
Update Time:2025-04-19

9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)-
    • 1-[5-(6-aminopurin-9-yl)-4-hydroxy-3-methyloxolan-2-yl]ethane-1,2-diol
    • 9-(3-Methyl-3-deoxy-β-D-allofuranosyl)-9H-purin-6-amine
    • 9-(3-deoxy-3-methylhexofuranosyl)-9h-purin-6-amine
    • AC1L5NZ4
    • AC1Q4Y29
    • AR-1H5003
    • NSC127973
    • DTXSID40299077
    • 26291-78-1
    • NSC-127973
    • Inchi： 1S/C12H17N5O4/c1-5-8(20)12(21-9(5)6(19)2-18)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12,18-20H,2H2,1H3,(H2,13,14,15)
    • InChI Key： NTBBDNWBKHVOKO-UHFFFAOYSA-N
    • SMILES： O1C(C(C(C)C1C(CO)O)O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 295.12821
  • Monoisotopic Mass: 295.128
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 376
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 140?2
  • XLogP3: _0.8

Experimental Properties

  • Density: 1.85
  • Boiling Point: 676.6°C at 760 mmHg
  • Flash Point: 363°C
  • Refractive Index: 1.813
  • PSA: 139.54
  • LogP: -0.76270

9H-Purin-6-amine,9-(3-deoxy-3-methyl-b-D-allofuranosyl)- Related Literature

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