化工社化工社 化学情報印刷レポート · 研究参考用
HCID 155802413作成日：2026年10月31日
[1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
https://huagongshe.com/ja/chemical/155802413
識別子と物理属性
| 分子式 | C73H107N13O21 |
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| 平均分子量 | 1,502.7 g/mol |
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| 単同位体質量 | 1,501.77044747 g/mol |
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| SMILES | C/C=C1/NC(=O)[C@@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O |
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| InChIKey | XCGGFKXEWPNQFS-CYWMHIOQSA-N |
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| PubChem CID | 155802413 |
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| DTXSID | DTXSID401334818 |
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化学・物理的性質
| XLogP | 1 |
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| 極性表面積 | 505 |
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| 水素結合供与体数 | 15 |
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| 水素結合受容体数 | 21 |
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| 回転可能結合数 | 23 |
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| 重原子数 | 107 |
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| 形式電荷 | 0 |
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| 複雑度 | 3,150 |
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![[1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate の分子構造式](/img/chemical/155802413.png)