Adenophostin A
HIT219251160
sdf文件结构编辑类似物检索
HIT ID: HIT219251160
Cas No: 149091-92-9
分子式: C16H26N5O18P3
分子量: 669.322
常用名: Adenophostin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
IUPAC: {[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
InChI key: RENVITLQVBEFDT-MZQFDOALSA-N
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