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Substance Name: 9-(2,3-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)-2,N6-dimethyladenine
RN: 132722-92-0
InChIKey: JGGATLHBDCQYHB-YVZVNANGSA-N

Molecular Formula

  • C12-H16-F-N5-O2

Molecular Weight

  • 281.2894
 
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Names and Synonyms

Synonyms

  • 2'-F-2,N6-dimethyl-ddA
  • 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)-N,2-dimethyl-

Systematic Name

  • 9-(2,3-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)-2,N6-dimethyladenine

Registry Numbers

CAS Registry Number

  • 132722-92-0

System Generated Number

  • 0132722920

Structure Descriptors

InChI

1S/C12H16FN5O2/c1-6-16-10(14-2)9-11(17-6)18(5-15-9)12-8(13)3-7(4-19)20-12/h5,7-8,12,19H,3-4H2,1-2H3,(H,14,16,17)/t7-,8-,12+/m0/s1

InChIKey

JGGATLHBDCQYHB-YVZVNANGSA-N

Smiles

Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H](C[C@H](O3)CO)F)NC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.64 (none)   EXP
Water Solubility 4480 mg/L 25 EST
Vapor Pressure 3.47E-11 mm Hg 25 EST
Henry's Law Constant 4.01E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

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