Nigericin sodium salt
HIT212659548
sdf文件结构编辑类似物检索
HIT ID: HIT212659548
Cas No: 28643-80-3
分子式: C40H67NaO11
分子量: 746.955
常用名: Nigericin sodium salt
氢键受体数 (HBA): 11
氢键供体数 (HBD): 2
LogP: 6.106806
IUPAC: sodium 2-{6-[(2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl)methyl]-3-methyloxan-2-yl}propanoate
IUPAC: sodium 2-{6-[(2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl)methyl]-3-methyloxan-2-yl}propanoate
SMILES: [Na+].COC1CC(CC2CCC(C)C(O2)C(C)C([O-])=O)OC2(OC(C)(CC2C)C2CCC(C)(O2)C2OC(CC2C)C2OC(O)(CO)C(C)CC2C)C1C
SMILES: [Na+].COC1CC(CC2CCC(C)C(O2)C(C)C([O-])=O)OC2(OC(C)(CC2C)C2CCC(C)(O2)C2OC(CC2C)C2OC(O)(CO)C(C)CC2C)C1C
InChI key: MOYOTUKECQMGHE-UHFFFAOYSA-M
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2681-3天 购物车
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