697751-82-9
Product Name:
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(β-D-glucopyranuronosyloxy)propyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
Formula:
C43H50F2N8O10
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COMPUTED DESCRIPTORS
| Molecular Weight | 876.9 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 15 |
| Exact Mass | 876.36179615 g/mol |
| Monoisotopic Mass | 876.36179615 g/mol |
| Topological Polar Surface Area | 208 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1560 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |