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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-
933754-62-2 structure

6H-Purin-6-one,9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-

Iupac Name:1H-imidazo[4,5-c]pyridin-4-ylmethanamine
CAS No.:933754-62-2
Molecular Weight:148.169
Molecular Formula:C21H25NO4 (isomer)
Names and Identifiers
Synonyms

6H-Purin-6-one,9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, [1R-(1a,2b,3b,4a)]- Carbocyclic inosine Coaristeromycin NSC 103529

Inchi
InChI=1S/C7H8N4/c8-3-6-7-5(1-2-9-6)10-4-11-7/h1-2,4H,3,8H2,(H,10,11)
InChkey
IYGXXYYSZHEPGI-UHFFFAOYSA-N
Canonical Smiles
C1=CN=C(C2=C1NC=N2)CN
Properties
Flash Point
213.5°C
Computational chemical data
  • Molecular Weight:148.169g/mol
  • Molecular Formula:C21H25NO4
  • Compound Is Canonicalized:True
  • Exact Mass:148.075
  • Monoisotopic Mass:148.075
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67.6A^2
  • Heavy Atom Count:11
  • 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: AAADccBjgAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAACAjBFgQ90LbJkACg ATRnZACCgC2xEqAJ2aA4dJiIaOLA2NGUJAhokALIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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