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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-
959581-00-1 structure

2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-

Iupac Name:2,2,2-trichloroethyl 4-(aminomethyl)piperidine-1-carboxylate
CAS No.:959581-00-1
EINECS(EC#): 262-475-2
Molecular Weight:289.581
Molecular Formula:C15H23N3OS (isomer)
Names and Identifiers
Synonyms

1-((2R,4R,5R)-4-hydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)-5-MethylpyriMidine-2,4(1H,3H)-dione 1-(2'-Deoxy-b-D-threo-pentofuranosyl)thymine 1-(2-Deoxy-beta-D-xylofuranosyl)-5-methyluracil 1-(2'-deoxy-beta-threopentofuranosyl)thymine 1-(2-Deoxy--D-xylofuranosyl)-5-methyluracil 1-(2'-DEOXY-SS-THREOPENTOFURANOSYL)THYMINE NSC 526738 Thymine,1-(2-deoxy-b-D-threo-pentofuranosyl)-(7CI,8CI) Zidovudine impurity M

Inchi
InChI=1S/C9H15Cl3N2O2/c10-9(11,12)6-16-8(15)14-3-1-7(5-13)2-4-14/h7H,1-6,13H2
InChkey
DBJJDXIDXIEGLK-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1CN)C(=O)OCC(Cl)(Cl)Cl
Properties
Density
0.926
Boiling Point
305.3°C at 760 mmHg
Flash Point
112.6°C
Computational chemical data
  • Molecular Weight:289.581g/mol
  • Molecular Formula:C15H23N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:288.02
  • Monoisotopic Mass:288.02
  • Complexity:237
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • 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
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