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Substance Name: 2',3'-Dideoxy-4-thiouridine
RN: 122568-04-1
InChIKey: HFUKRBLAIFTSMI-POYBYMJQSA-N

Molecular Formula

  • C9-H12-N2-O3-S

Molecular Weight

  • 228.2708
 
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Names and Synonyms

Synonyms

  • 4-Thio-ddU
  • ddUrdS

Systematic Name

  • 2',3'-Dideoxy-4-thiouridine

Registry Numbers

CAS Registry Number

  • 122568-04-1

System Generated Number

  • 0122568041

Structure Descriptors

InChI

1S/C9H12N2O3S/c12-5-6-1-2-8(14-6)11-4-3-7(15)10-9(11)13/h3-4,6,8,12H,1-2,5H2,(H,10,13,15)/t6-,8+/m0/s1

InChIKey

HFUKRBLAIFTSMI-POYBYMJQSA-N

Smiles

c1cn(c(=O)[nH]c1=S)[C@H]2CC[C@H](O2)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.21 (none)   EXP
Water Solubility 2300 mg/L 25 EST
Vapor Pressure 1.19E-10 mm Hg 25 EST
Henry's Law Constant 2.50E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.15E-11 cm3/molecule-sec 25 EST

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