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Substance Name: 3'-Fluoro-2,6-diaminopurine-2',3'-dideoxyriboside
RN: 114753-53-6
InChIKey: VWQYIIIPRYCMSY-YSLANXFLSA-N

Molecular Formula

  • C10-H13-F-N6-O2

Molecular Weight

  • 268.251
 
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Names and Synonyms

Name of Substance

  • 3'-Fluoro-2,6-diaminopurine-2',3'-dideoxyriboside

Synonyms

  • 3'-Fluoro-2-amino-2',3'-dideoxyadenosine
  • Fdddapr

Systematic Name

  • Adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-

Registry Numbers

CAS Registry Number

  • 114753-53-6

System Generated Number

  • 0114753536

Structure Descriptors

InChI

1S/C10H13FN6O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(12)15-10(13)16-9(7)17/h3-6,18H,1-2H2,(H4,12,13,15,16)/t4?,5-,6-/m1/s1

InChIKey

VWQYIIIPRYCMSY-YSLANXFLSA-N

Smiles

n1(c2c(c(N)nc(n2)N)nc1)[C@@H]1O[C@H](CO)[C@@H](C1)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.05 (none)   EXP
Water Solubility 830 mg/L 25 EST
Vapor Pressure 1.25E-12 mm Hg 25 EST
Henry's Law Constant 2.08E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-10 cm3/molecule-sec 25 EST

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