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Substance Name: 9-(2'-Fluoro-2',3'-dideoxy-beta-D-arabinofuranosyl)-N-benzoyl-adenine
RN: 132722-93-1
InChIKey: MEJGKVAHHHDBIU-NVGCLXPQSA-N

Molecular Formula

  • C17-H16-F-N5-O3

Molecular Weight

  • 357.3434
 
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Names and Synonyms

Synonyms

  • N-Bz-2'-F-dd-ara-A
  • NSC 625375

Systematic Name

  • 9-(2'-Fluoro-2',3'-dideoxy-beta-D-arabinofuranosyl)-N-benzoyl-adenine

Registry Numbers

CAS Registry Number

  • 132722-93-1

System Generated Number

  • 0132722931

Structure Descriptors

InChI

1S/C17H16FN5O3/c18-12-6-11(7-24)26-17(12)23-9-21-13-14(19-8-20-15(13)23)22-16(25)10-4-2-1-3-5-10/h1-5,8-9,11-12,17,24H,6-7H2,(H,19,20,22,25)/t11-,12-,17+/m0/s1

InChIKey

MEJGKVAHHHDBIU-NVGCLXPQSA-N

Smiles

c1ccc(cc1)C(=O)Nc2c3c(ncn2)n(cn3)[C@H]4[C@H](C[C@H](O4)CO)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.73 (none)   EXP
Water Solubility 1330 mg/L 25 EST
Vapor Pressure 1.46E-16 mm Hg 25 EST
Henry's Law Constant 1.06E-22 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.