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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-
845781-23-9 structure

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

Iupac Name:1-(4-chloro-3-fluorophenyl)-2-phenylethanone
CAS No.:845781-23-9
EINECS(EC#): 262-475-2
Molecular Weight:248.681
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/C14H10ClFO/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChkey
JETGOFXNIJXWJC-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CC(=O)C2=CC(=C(C=C2)Cl)F
Isomers Smiles
C1=CC=C(C=C1)CC(=O)C2=CC(=C(C=C2)Cl)F
Properties
Density
0.926
Boiling Point
305.3°C at 760 mmHg
Flash Point
112.6°C
Computational chemical data
  • Molecular Weight:248.681g/mol
  • Molecular Formula:C15H23N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:248.04
  • Monoisotopic Mass:248.04
  • Complexity:263
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:17
  • 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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Recommended Suppliers
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
  • Tel:+1-(308)-537-3900
  • Fax:+1-(308)-537-3802
 
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