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Substance Name: 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)
RN: 124424-25-5
InChIKey: YTLACGJEZOUGQP-VMHSAVOQSA-N

Molecular Formula

  • C9-H11-F-N2-O4

Molecular Weight

  • 230.1939
 
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Names and Synonyms

Synonyms

  • 1-(2',3'-Dideoxy-2'-fluoro-beta-D-threo-pentofuranosyl)uracil
  • 2'F-dd-araU
  • NSC 639425

Systematic Name

  • 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)

Registry Numbers

CAS Registry Number

  • 124424-25-5

System Generated Number

  • 0124424255

Structure Descriptors

InChI

1S/C9H11FN2O4/c10-6-3-5(4-13)16-8(6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6-,8+/m0/s1

InChIKey

YTLACGJEZOUGQP-VMHSAVOQSA-N

Smiles

c1cn(c(=O)[nH]c1=O)[C@H]2[C@H](C[C@H](O2)CO)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.87 (none)   EXP
Water Solubility 8230 mg/L 25 EST
Vapor Pressure 9.24E-12 mm Hg 25 EST
Henry's Law Constant 4.20E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.02E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.