4'-thio-arabinofuranosylcytosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 7
PubChem 168566
Molecular Formula

C9H13N3O4S

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O

InChI

InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1

synonyms
  • THIARABINE
  • 26599-17-7
  • Thio-Cytarabine
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Properties
Property Value
MW 259.28 g/mol
HBD 4
HBA 5
Rotatable Bond Count 2
Exact Mass 259.06267708 g/mol
Monoisotopic Mass 259.06267708 g/mol
Heavy Atom Count 17
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 386
xlogp -1.3
Topological Polar Surface Area 145