HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10076310Generated: October 29, 2026
1-(2-{2-[(Ethoxycarbonyl)methoxy]-phenyl}-2-oxo-ethyl)-3-methyl-7-(3-methyl-2-buten-1-yl)-8-(3-amino-piperidin-1-yl)-xanthine
https://huagongshe.com/en/chemical/10076310
Identifiers & Physical Properties
| Molecular formula | C28H36N6O6 |
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| Average molar mass | 552.6 g/mol |
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| SMILES | CCOC(=O)COc1ccccc1C(=O)Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2CC=C(C)C)n(C)c1=O |
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| InChIKey | WPBHFHFTZSYCKJ-UHFFFAOYSA-N |
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| PubChem CID | 10076310 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 140 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 40 |
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| Formal charge | 0 |
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| Complexity | 986 |
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![1-(2-{2-[(Ethoxycarbonyl)methoxy]-phenyl}-2-oxo-ethyl)-3-methyl-7-(3-methyl-2-buten-1-yl)-8-(3-amino-piperidin-1-yl)-xanthine molecular structure](/img/chemical/10076310.png)