Cas no 15645-47-3 (9H-Purin-2-amine,6,8-dichloro-9-b-D-ribofuranosyl-)

9H-Purin-2-amine,6,8-dichloro-9-b-D-ribofuranosyl- structure
15645-47-3 structure
Product Name:9H-Purin-2-amine,6,8-dichloro-9-b-D-ribofuranosyl-
CAS No:15645-47-3
MF:C10H11Cl2N5O4
MW:336.131439447403
CID:146570
PubChem ID:272037
Update Time:2025-04-19

9H-Purin-2-amine,6,8-dichloro-9-b-D-ribofuranosyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-2-amine,6,8-dichloro-9-b-D-ribofuranosyl-
    • NSC116099
    • 6,8-Dichloro-9-pentofuranosyl-1,9-dihydro-2H-purin-2-imine
    • 15645-47-3
    • NSC-116099
    • DTXSID70935456
    • Inchi: 1S/C10H11Cl2N5O4/c11-6-3-7(16-10(13)15-6)17(9(12)14-3)8-5(20)4(19)2(1-18)21-8/h2,4-5,8,18-20H,1H2,(H2,13,15,16)
    • InChI Key: LFTLJHWBLHEIBH-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C(=NC(N)=NC=2N1C1C(C(C(CO)O1)O)O)Cl

Computed Properties

  • Exact Mass: 335.01903
  • Monoisotopic Mass: 335.0188092g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 397
  • 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
  • Topological Polar Surface Area: 140?2

Experimental Properties

  • PSA: 139.54
  • LogP: -0.09200
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