HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 155802413Erstellt: 30. Oktober 2026
[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/de/chemical/155802413
![Molekülstruktur von [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](/img/chemical/155802413.png)
Identifikatoren & physikalische Daten
| Summenformel | C73H107N13O21 |
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| Durchschnittliche Molmasse | 1.502,7 g/mol |
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| Monoisotopische Masse | 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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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 505 |
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| H-Brücken-Donoren | 15 |
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| H-Brücken-Akzeptoren | 21 |
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| Frei drehbare Bindungen | 23 |
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| Schwere Atome | 107 |
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| Formalladung | 0 |
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| Komplexität | 3.150 |
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