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Home> Encyclopedia > Hot Product Listed 5   > 5,6-Dihydro-ara-uridine
94052-13-8 structure

5,6-Dihydro-ara-uridine

Iupac Name:piperidine-1-carboximidamide;sulfuric acid
CAS No.:94052-13-8
EINECS(EC#): 224-937-1
Molecular Weight:352.45
Molecular Formula:C10H14N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h2*1-5H2,(H3,7,8);(H2,1,2,3,4)
InChkey
XEMFKRVIVCQOPE-UHFFFAOYSA-N
Canonical Smiles
C1CCN(CC1)C(=N)N.C1CCN(CC1)C(=N)N.OS(=O)(=O)O
Properties
Boiling Point
581.8°C at 760 mmHg
Flash Point
171.1°C
Computational chemical data
  • Molecular Weight:352.45g/mol
  • Molecular Formula:C10H14N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:352.189
  • Monoisotopic Mass:352.189
  • Complexity:186
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:189A^2
  • Heavy Atom Count:23
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADceBzuABAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAAAAAAHAAQCAAACADBAAQBAANAAIAg AAAAIDAAAACAAAABAAAIAACAAAIAiAAEAAAAAAKAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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