Cas no 1426-59-1 (9H-Purine,6-chloro-9-(2,3-di-O-acetyl-5-deoxy-5-fluoro-b-D-ribofuranosyl)-)

9H-Purine,6-chloro-9-(2,3-di-O-acetyl-5-deoxy-5-fluoro-b-D-ribofuranosyl)- structure
1426-59-1 structure
Product Name:9H-Purine,6-chloro-9-(2,3-di-O-acetyl-5-deoxy-5-fluoro-b-D-ribofuranosyl)-
CAS No:1426-59-1
MF:C14H14ClFN4O5
MW:372.736165523529
CID:153848
PubChem ID:286423
Update Time:2025-04-19

9H-Purine,6-chloro-9-(2,3-di-O-acetyl-5-deoxy-5-fluoro-b-D-ribofuranosyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-chloro-9-(2,3-di-O-acetyl-5-deoxy-5-fluoro-b-D-ribofuranosyl)-
    • 2-(6-chloro-9H-purin-9-yl)-5-(fluoromethyl)tetrahydrofuran-3,4-diyl diacetate
    • (5R)-5-methyl-3-morpholinone
    • (5R)-hydroxy-2-hexanone
    • (5R)-hydroxyhexane-2-one
    • (5R)-O,O'-diacetyl-5-(6-chloro-purin-9-yl)-1-fluoro-L-2,5-anhydro-1-deoxy-ribitol
    • (5R)-O,O'-Diacetyl-5-(6-chlor-purin-9-yl)-1-fluor-L-2,5-anhydro-1-desoxy-ribit
    • (R)-5-hydroxy-hexan-2-one
    • (R)-5-methyl-morpholin-3-one
    • 5(R)-methyl-ketomorpholine
    • 5-hydroxyhexan-2-one
    • 5-hydroxy-hexan-2-one
    • AK-90066
    • ANW-67020
    • CTK8C1648
    • KB-03341
    • 6-chloro-9-(2,3-di-o-acetyl-5-deoxy-5-fluoropentofuranosyl)-9h-purine
    • 1426-59-1
    • DTXSID70931539
    • NSC-144602
    • NSC144602
    • Inchi: 1S/C14H14ClFN4O5/c1-6(21)23-10-8(3-16)25-14(11(10)24-7(2)22)20-5-19-9-12(15)17-4-18-13(9)20/h4-5,8,10-11,14H,3H2,1-2H3
    • InChI Key: FIHLFKYEAZYSTR-UHFFFAOYSA-N
    • SMILES: ClC1C2=C(N=CN=1)N(C=N2)C1C(C(C(CF)O1)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 372.06382
  • Monoisotopic Mass: 372.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 530
  • 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: 1.9
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.68
  • Boiling Point: 524.7°Cat760mmHg
  • Flash Point: 271.1°C
  • Refractive Index: 1.666
  • PSA: 105.43
  • LogP: 1.21000
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