Cas no 77691-03-3 (D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)-)

D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)- structure
77691-03-3 structure
Product Name:D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)-
CAS No:77691-03-3
MF:C11H14N4O4
MW:266.253262042999
CID:567036
PubChem ID:494271
Update Time:2025-04-19

D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)-
    • 5H-Pyrrolo[3,2-d]pyrimidine-4-amine, 7-.β.-D- ribofuranosyl-, monohydrochloride
    • D-Ribitol, 1-C-(4-amino-5H-pyrrolo3,2-dpyrimidin-7-yl)-1,4-anhydro-, (1S)-
    • BRN 4706519
    • D-Ribitol, 1-C-(4-amino-5H-pyrrolo(3,2-D)pyrimidin-7-yl)-1,4-anhydro-, (S)-
    • CHEMBL4580420
    • 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(3,2-d)pyrimidine
    • 7H-Pyrrolo(3,2-d)pyrimidine, 4-amino-7-beta-D-arabinofuranosyl-
    • 77691-03-3
    • NSC 352890
    • 1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydropentitol
    • (2S,3R,4S,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • {5H-Pyrrolo[3,2-d]pyrimidine-4-amine,} 7-.beta.-D- ribofuranosyl-
    • SCHEMBL3304855
    • C9Ado
    • SCHEMBL10855797
    • (2S,3R,4S,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
    • Inchi： 1S/C11H14N4O4/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15)/t5-,8-,9-,10+/m1/s1
    • InChI Key： KEHFJRVBOUROMM-KBHCAIDQSA-N
    • SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1C1=CNC2C(N)=NC=NC1=2)O)O

Computed Properties

  • Exact Mass: 302.078
  • Monoisotopic Mass: 302.078
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 334
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138A^2
  • XLogP3: -1.8

Experimental Properties

  • Density: 1.688
  • Boiling Point: 684.8°C at 760 mmHg
  • Flash Point: 368°C
  • Refractive Index: 1.787
  • PSA: 137.51000
  • LogP: 0.07730

D-Ribitol,1-C-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1S)- Related Literature

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