Name: m7GpppUmpG
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912610
Cas No:
常用名:m7GpppUmpG
IUPAC:2-amino-9-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-3-[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
IUPAC:2-amino-9-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-3-[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
InChI key:InChIKey=MEMOMTIQEVMCHS-LFTIVBHHSA-N

分子式:C31H42N12O26P4
分子量:1122.63
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1[C@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2[nH]c(N)nc3=O)[C@@H](COP(O)(=O)OP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c[n+](C)c3c2[nH]c(N)nc3=O)O[C@H]1n1ccc(=O)[nH]c1=O
SMILES:CO[C@@H]1[C@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2[nH]c(N)nc3=O)[C@@H](COP(O)(=O)OP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c[n+](C)c3c2[nH]c(N)nc3=O)O[C@H]1n1ccc(=O)[nH]c1=O

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