Name: MRS 2957 triethylammonium salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316720
Cas No:1228271-30-4
常用名:MRS 2957 triethylammonium salt
IUPAC:[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyimino)-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
IUPAC:[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyimino)-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
InChI key:SIKKMGJHOOQSAP-RTGFKBDUSA-N

分子式:C19H28N5O20P3
分子量:739.369
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CON=c1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |w:2.1|
SMILES:CON=c1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |w:2.1|

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