6. Computational chemical data
- Molecular Weight: 550.569g/mol
- Molecular Formula: C24H34N6O9
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 1114.55464106
- Monoisotopic Mass: 1114.55464106
- Complexity: 658
- Rotatable Bond Count: 14
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 22
- Topological Polar Surface Area: 399
- Heavy Atom Count: 79
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count: 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 7
- CACTVS Substructure Key Fingerprint: AAADcfB//gAAAAAAAAAAAAAAAAAAAWJAAAAwYMEAAAAAAEAB1AAAHgAQCAAADBzhngY3+JfMFgCoAyfzfACCgC03EqAJ2IGofMiLfjrA3bGecYhv1gPb2ef4+SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==
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