119147-21-6
Product Name:
inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester
Formula:
C14H22NO17P3
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COMPUTED DESCRIPTORS
| Molecular Weight | 569.24 g/mol |
|---|---|
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 9 |
| Exact Mass | 569.01005923 g/mol |
| Monoisotopic Mass | 569.01005923 g/mol |
| Topological Polar Surface Area | 296 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 886 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |