Cas no 40297-54-9 (N6-(PARA-NITROBENZYL)ADENOSINE)

N6-(PARA-NITROBENZYL)ADENOSINE structure
40297-54-9 structure
Product Name:N6-(PARA-NITROBENZYL)ADENOSINE
CAS No:40297-54-9
MF:C17H18N6O6
MW:402.361423015594
CID:882193
PubChem ID:97481
Update Time:2025-04-19

N6-(PARA-NITROBENZYL)ADENOSINE Chemical and Physical Properties

Names and Identifiers

    • N6-(PARA-NITROBENZYL)ADENOSINE
    • 6-(4-nitrobenzylamino)purine riboside
    • N6-(4-Nitrobenzyl)-adenosin
    • N6-(4-nitro-benzyl)-adenosine
    • N6-(p-Nirobenzyl)adenosine
    • N6-(p-nitrobenzyl)adenosine
    • N6-(p-nitrobenzyl)-adenosine
    • Inchi: 1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
    • InChI Key: VAQMNFPQRLLRMG-LSCFUAHRSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NCC1C=CC(=CC=1)[N+](=O)[O-])O)O

Computed Properties

  • Exact Mass: 402.12900
  • Monoisotopic Mass: 402.12878232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 573
  • 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
  • XLogP3: 0.9
  • Topological Polar Surface Area: 171?2

Experimental Properties

  • PSA: 171.37000
  • LogP: 0.55430
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