Cas no 115173-45-0 (Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl-)

Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl- structure
115173-45-0 structure
Product Name:Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl-
CAS No:115173-45-0
MF:C11H16N4O6
MW:300.267942428589
CID:170897
PubChem ID:130775
Update Time:2025-04-19

Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl- Chemical and Physical Properties

Names and Identifiers

    • Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl-
    • 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
    • azepinomycin 3-ribofuranoside
    • 6-hydroxy-3-(beta-D-ribofuranosyl)-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-one
    • AZ-3-RI
    • Imidazo(4,5-e)(1,4)diazepin-8(3H)-one, 4,5,6,7-tetrahydro-6-hydroxy-3-beta-D-ribofuranosyl-
    • 115173-45-0
    • DTXSID80921643
    • 3-Pentofuranosyl-3,4,5,6-tetrahydroimidazo[4,5-e][1,4]diazepine-6,8-diol
    • SCHEMBL10613605
    • Inchi： 1S/C11H16N4O6/c16-2-4-7(18)8(19)11(21-4)15-3-13-6-9(15)12-1-5(17)14-10(6)20/h3-5,7-8,11-12,16-19H,1-2H2,(H,14,20)/t4-,5?,7-,8-,11-/m1/s1
    • InChI Key： WPXDIKKYRLAXPM-VXSOYKKHSA-N
    • SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(NC(CNC1=2)O)=O)O)O

Computed Properties

  • Exact Mass: 300.10708
  • Monoisotopic Mass: 300.10698424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 412
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 149?2

Experimental Properties

  • PSA: 149.1

Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl- Related Literature

115173-45-0 (Imidazo[4,5-e][1,4]diazepin-8(3H)-one,4,5,6,7-tetrahydro-6-hydroxy-3-b-D-ribofuranosyl-) Related Products

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