Cas no 108742-10-5 (1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel-)

1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel- structure
108742-10-5 structure
Product Name:1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel-
CAS No:108742-10-5
MF:C11H16N6O3
MW:280.283141136169
CID:194362
PubChem ID:5272151
Update Time:2025-04-19

1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel-
    • (1S,2S,3R,5R)-3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
    • 1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1a,2b,3a,5a)- (9CI)
    • 1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1a,2b,3a,5a)-(?à)-
    • 1,2-Cyclopentanediol, 3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, rel-(1S,2S,3R,5R)-
    • 1,2-CYCLOPENTANEDIOL, 3-(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-, (1.ALPHA.,2.BETA.,3.ALPHA.,5.ALPHA.)-(+/-)-
    • 1,2-Cyclopentanediol, 3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, rel-(1S,2S,3R,5R)-
    • UNII-NZ3L573MR2
    • NZ3L573MR2
    • 3-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
    • DTXSID10910863
    • (2,6-Diamino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol, rel-(1R,2R,3S,5S)-3-
    • REL-(1R,2R,3S,5S)-3-(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-1,2-CYCLOPENTANEDIOL
    • 108742-10-5
    • Inchi： 1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7+,8+/m1/s1
    • InChI Key： ZLJQBJBJBIATTP-KYNKHSRBSA-N
    • SMILES： O[C@@H]1[C@H]([C@@H](CO)C[C@H]1N1C=NC2C(N)=NC(N)=NC1=2)O

Computed Properties

  • Exact Mass: 280.128
  • Monoisotopic Mass: 280.128
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 361
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 156A^2
  • XLogP3: -1.7

Experimental Properties

  • Density: 2.08
  • Boiling Point: 705°Cat760mmHg
  • Flash Point: 380.2°C
  • Refractive Index: 1.952
  • PSA: 157.06000
  • LogP: -1.22290

1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel- Related Literature

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