Guadecitabine sodium
HIT214314995
sdf文件结构编辑类似物检索
HIT ID: HIT214314995
Cas No: 929904-85-8
分子式: C18H24N9NaO10P
分子量: 580.407
常用名: Guadecitabine sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydro-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid sodium
IUPAC: {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydro-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid sodium
SMILES: [Na].[H][C@@]1(C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO)n2cnc(N)nc2=O)O1)n1cnc2c1[nH]c(N)nc2=O
SMILES: [Na].[H][C@@]1(C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO)n2cnc(N)nc2=O)O1)n1cnc2c1[nH]c(N)nc2=O
InChI key: GIWNNMMDOVYUOT-BYKQGDNKSA-N
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