Name: Fondaparinux sodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212657984
Cas No:114870-03-0
常用名:Fondaparinux sodium
别名:磺达肝素(癸)钠, 磺达肝癸钠, SR-90107A, Natural heparin pentasaccharide Sodium, Fondaparin sodium, Arixtra
别名:磺达肝素(癸)钠, 磺达肝癸钠, SR-90107A, Natural heparin pentasaccharide Sodium, Fondaparin sodium, Arixtra
IUPAC:decasodium 3-({5-[(6-carboxylato-5-{[4,5-dihydroxy-3-(sulfonatoamino)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3-(sulfonatoamino)-4-(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl}oxy)-4-hydroxy-6-{[4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}-5-(sulfonatooxy)oxane-2-carboxylate
IUPAC:decasodium 3-({5-[(6-carboxylato-5-{[4,5-dihydroxy-3-(sulfonatoamino)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3-(sulfonatoamino)-4-(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl}oxy)-4-hydroxy-6-{[4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}-5-(sulfonatooxy)oxane-2-carboxylate
InChI key:XEKSTYNIJLDDAZ-UHFFFAOYSA-D

分子式:C31H43N3Na10O49S8
分子量:1728.03
氢键供体数 (HBD):9
氢键受体数 (HBA):44
LogP:-10.479802
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COC1OC(COS([O-])(=O)=O)C(OC2OC(C(OC3OC(COS([O-])(=O)=O)C(OC4OC(C(OC5OC(COS([O-])(=O)=O)C(O)C(O)C5NS([O-])(=O)=O)C(O)C4O)C([O-])=O)C(OS([O-])(=O)=O)C3NS([O-])(=O)=O)C(O)C2OS([O-])(=O)=O)C([O-])=O)C(O)C1NS([O-])(=O)=O
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COC1OC(COS([O-])(=O)=O)C(OC2OC(C(OC3OC(COS([O-])(=O)=O)C(OC4OC(C(OC5OC(COS([O-])(=O)=O)C(O)C(O)C5NS([O-])(=O)=O)C(O)C4O)C([O-])=O)C(OS([O-])(=O)=O)C3NS([O-])(=O)=O)C(O)C2OS([O-])(=O)=O)C([O-])=O)C(O)C1NS([O-])(=O)=O

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