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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,3,7-dihydro-3-b-D-ribofuranosyl-(9CI)
1215295-91-2 structure

6H-Purin-6-one,3,7-dihydro-3-b-D-ribofuranosyl-(9CI)

Iupac Name:4-bromo-3-methoxybenzenesulfonyl chloride
CAS No.:1215295-91-2
Molecular Weight:285.536
Molecular Formula:C13H13N5OS2 (isomer)
Names and Identifiers
Synonyms

3-(|a-d-ribofuranosyl)-3,7-dihydro-6h-purin-6-one 3-(beta-d-ribofuranosyl)-3h-purin-6(7h)-one 3-(beta-d-ribofuranosyl)hypoxanthine 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-6-one 3-beta-d-ribofuranosylhypoxanthine 3-isoinosine 3-ribofuranosyl-1,6-dihydro-3h-purin-6-one 3-ribofuranosylhypoxanthine 6835-54-7 6h-purin-6-one, 3,7-dihydro-3-beta-d-ribofuranosyl- AC1L4W8W AC1Q6CZM Hypoxanthine,3-b-D-ribofuranosyl- (7CI,8CI) NU005340

Inchi
InChI=1S/C7H6BrClO3S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4H,1H3
InChkey
APCCBOUSWYTPJQ-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=CC(=C1)S(=O)(=O)Cl)Br
Properties
Density
1.478
Boiling Point
594.4°C at 760 mmHg
Flash Point
246°C
Computational chemical data
  • Molecular Weight:285.536g/mol
  • Molecular Formula:C13H13N5OS2
  • Compound Is Canonicalized:True
  • Exact Mass:283.891
  • Monoisotopic Mass:283.891
  • Complexity:261
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMABEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgRAAAABqASA0AIyB4AABAKA ACBCAHBCCAAgIAQIiBgGCKgMJiKEMRqAMCAkwBEIqheAQAAAAAEABAAABAAAAgAIAAAIAAAAAAAA AA==
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