Decitabine
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular Identity
Decitabine
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID: 451668
5-aza-2'-deoxycytidine is a 2'-deoxyribonucleoside.
2D Structure
Properties
C8H12N4O4
Molecular Formula
228.21
Molecular Weight
g/mol
228.0859
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
356
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Decitabine2353-33-55-Aza-2'-deoxycytidine5-Azadeoxycytidine2'-Deoxy-5-azacytidine5-Aza-deoxycytidineDecitabina5-AZAdCNSC 1277162-Desoxy-5-azacytidineNSC-1277164-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-oneDTXSID70304324-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
Data from PubChem (NCBI)
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