8-Br-ADPR
HIT218850524
sdf文件结构编辑类似物检索
HIT ID: HIT218850524
Cas No: 59259-77-7
分子式: C15H22BrN5O14P2
分子量: 638.214
常用名: 8-Br-ADPR
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl]oxy})phosphoryl]oxy})phosphinic acid
IUPAC: {[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl]oxy})phosphoryl]oxy})phosphinic acid
SMILES: Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]3O)c(Br)nc12
SMILES: Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]3O)c(Br)nc12
InChI key: LXVHRMADRNRLNR-ZVIMGNLFSA-N
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