Decitabine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2020
Total Number of Articles : 3168
PubChem 451668
Molecular Formula

C8H12N4O4

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O

InChI

InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1

synonyms
  • Decitabine
  • 5-Aza-2'-deoxycytidine
  • 2353-33-5
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Properties
Property Value
MW 228.21 g/mol
HBD 3
HBA 4
Rotatable Bond Count 2
Exact Mass 228.08585488 g/mol
Monoisotopic Mass 228.08585488 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 356
xlogp -1.2
Topological Polar Surface Area 121