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Substance Name: 2',3'-Didehydro-2',3'-dideoxy-4-thiouridine
RN: 122568-02-9
InChIKey: BGYINAMLWJTHHK-POYBYMJQSA-N

Molecular Formula

  • C9-H10-N2-O3-S

Molecular Weight

  • 226.255
 
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Names and Synonyms

Synonyms

  • 4-Thio-D4U
  • ddeUrdS

Systematic Name

  • 2',3'-Didehydro-2',3'-dideoxy-4-thiouridine

Registry Numbers

CAS Registry Number

  • 122568-02-9

System Generated Number

  • 0122568029

Structure Descriptors

InChI

1S/C9H10N2O3S/c12-5-6-1-2-8(14-6)11-4-3-7(15)10-9(11)13/h1-4,6,8,12H,5H2,(H,10,13,15)/t6-,8+/m0/s1

InChIKey

BGYINAMLWJTHHK-POYBYMJQSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.28 (none)   EXP
Water Solubility 2710 mg/L 25 EST
Vapor Pressure 1.05E-10 mm Hg 25 EST
Henry's Law Constant 1.75E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-10 cm3/molecule-sec 25 EST

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