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Substance Name: alpha-2'-Deoxythioguanosine
RN: 2133-81-5
InChIKey: SCVJRXQHFJXZFZ-JKUQZMGJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H13-N5-O3-S

Molecular Weight

  • 283.311
 
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Names and Synonyms

Name of Substance

  • alpha-2'-Deoxythioguanosine

Synonyms

  • alpha-2'-Deoxy-6-thioguanosine
  • alpha-2'-Deoxythioguanosine
  • alpha-Deoxythioguanosine
  • alpha-TGdR
  • alpha-Thiodeoxyguanosine
  • NSC 71851
  • NSC-71851
  • Thioguanine 9alphaD-2'-deoxyriboside

Systematic Names

  • 2-Amino-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-9H-purine-6-thiol
  • 6H-Purine-6-thione, 2-amino-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-1,9-dihydro- (9CI)
  • 9H-Purine-6(1H)-thione, 2-amino-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-

Registry Numbers

CAS Registry Number

  • 2133-81-5

Other Registry Number

  • 2946-51-2

System Generated Number

  • 0002133815

Structure Descriptors

InChI

1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)/t4-,5+,6-/m0/s1

InChIKey

SCVJRXQHFJXZFZ-JKUQZMGJSA-N

Smiles

O1[C@@H](C[C@@H]([C@H]1CO)O)n1c2nc([nH]c(c2nc1)=S)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.79 (none)   EXP
Water Solubility 3550 mg/L 25 EST
Vapor Pressure 1.61E-18 mm Hg 25 EST
Henry's Law Constant 8.22E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.33E-10 cm3/molecule-sec 25 EST

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