HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166301Generated: October 28, 2026
[3-[[4-[[1-(Benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxoanthracen-1-yl]amino]-5-methylhexyl] benzenesulfonate
https://huagongshe.com/en/chemical/166301
Identifiers & Physical Properties
| Molecular formula | C40H46N2O8S2 |
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| Average molar mass | 746.9 g/mol |
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| Monoisotopic mass | 746.26955878 g/mol |
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| SMILES | CC(C)CC(CCOS(=O)(=O)c1ccccc1)Nc1ccc(NC(CCOS(=O)(=O)c2ccccc2)CC(C)C)c2c1C(=O)c1ccccc1C2=O |
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| InChIKey | CUIDPCJCJAPECI-UHFFFAOYSA-N |
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| PubChem CID | 166301 |
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Chemical & Physical Properties
| XLogP | 10.1 |
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| Topological polar surface area | 162 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 52 |
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| Formal charge | 0 |
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| Complexity | 1,260 |
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![[3-[[4-[[1-(Benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxoanthracen-1-yl]amino]-5-methylhexyl] benzenesulfonate molecular structure](/img/chemical/166301.png)