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Substance Name: 1-(2,3-Dideoxy-2-fluoropentofuranosyl)cytosine
RN: 119555-47-4
InChIKey: LTDCCBLBAQXNKP-VMHSAVOQSA-N

Note

  • Has antiviral activity against HIV-1.

Molecular Formula

  • C9-H12-F-N3-O3

Molecular Weight

  • 229.2098
 
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Names and Synonyms

Name of Substance

  • 1-(2,3-Dideoxy-2-fluoropentofuranosyl)cytosine

Synonyms

  • 1-(2,3-Dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)cytosine
  • 2'-F-dd-Ara-C
  • 2'-Fluoro-2',3'-dideoxyarabinosylcytosine
  • 2,3-Ddfpc
  • 4-Amino-1-(2,3-dideoxy-2-fluoro-beta-D-threo-pentafuranosyl)-2(1H)-pyrimidinone

Systematic Name

  • 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-beta-D-threo-pentafuranosyl)-

Registry Numbers

CAS Registry Number

  • 119555-47-4

System Generated Number

  • 0119555474

Structure Descriptors

InChI

1S/C9H12FN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6-,8+/m0/s1

InChIKey

LTDCCBLBAQXNKP-VMHSAVOQSA-N

Smiles

c1cn(c(=O)nc1N)[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) -1.18E+00 (none)   EXP
Water Solubility 1.53E+04 mg/L 25 EST
Vapor Pressure 7.07E-08 mm Hg 25 EST
Henry's Law Constant 2.33E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.73E-11 cm3/molecule-sec 25 EST

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