Name: Glycolithocholic acid 3-sulfate disodium
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217583299
Cas No:64936-82-9
常用名:Glycolithocholic acid 3-sulfate disodium
常用名:Glycolithocholic acid 3-sulfate disodium
别名:Sulfolithocholylglycine disodium, SLCG disodium, Glycolithocholate sulfate disodium
别名:Sulfolithocholylglycine disodium, SLCG disodium, Glycolithocholate sulfate disodium
IUPAC:disodium 2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetate
IUPAC:disodium 2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetate
InChI key:FXMCQRUEVPOMSC-DJOVSRRHSA-L

分子式:C26H41NNa2O7S
分子量:557.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCC([O-])=O
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCC([O-])=O

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