Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-, 1-oxide
RN: 132723-00-3
InChIKey: VLDFUMAFLVDAFM-JFWOZONXSA-N

Molecular Formula

  • C10-H12-F-N5-O3

Molecular Weight

  • 269.2348
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2'F-ddA-N-oxide
  • 9-(2',3'-Dideoxy-2'-fluoro-beta-D-arabino-furanosyl)adenine-1-oxide
  • NSC 628173

Systematic Name

  • 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-, 1-oxide

Registry Numbers

CAS Registry Number

  • 132723-00-3

System Generated Number

  • 0132723003

Structure Descriptors

InChI

1S/C10H12FN5O3/c11-6-1-5(2-17)19-10(6)15-3-13-7-8(12)16(18)4-14-9(7)15/h3-6,10,17H,1-2,12H2/t5-,6-,10+/m0/s1

InChIKey

VLDFUMAFLVDAFM-JFWOZONXSA-N

Smiles

c1nc2c([n+](cnc2n1[C@H]3[C@H](C[C@H](O3)CO)F)[O-])N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.38E+00 (none)   EXP
Water Solubility 3.38E+05 mg/L 25 EST
Vapor Pressure 1.83E-11 mm Hg 25 EST
Henry's Law Constant 4.69E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.35E-11 cm3/molecule-sec 25 EST

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