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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 66736639作成日：2026年10月26日

1-((R)-1-{6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-ylmethyl-urea hydrochloride

https://huagongshe.com/ja/chemical/66736639

1-((R)-1-{6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-ylmethyl-urea hydrochloride の分子構造式

識別子と物理属性

分子式C38H44ClN13O5
平均分子量798.3 g/mol
単同位体質量797.3276892 g/mol
SMILESCCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(N5CC[C@@H](NC(=O)NCc6cccnc6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKeyZCAXDVICPBNJIT-MOAKDFGQSA-N
PubChem CID66736639

化学・物理的性質

極性表面積237
水素結合供与体数8
水素結合受容体数14
回転可能結合数12
重原子数57
形式電荷0
複雑度1,240
1-((R)-1-{6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-ylmethyl-urea hydrochloride｜化工社