34317-37-8
Product Name:
3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridine-4-carbaldehyde, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)
Formula:
C20H21NO4.C8H10NO6P
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COMPUTED DESCRIPTORS
| Molecular Weight | 586.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 586.17163219 g/mol |
| Monoisotopic Mass | 586.17163219 g/mol |
| Topological Polar Surface Area | 167 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 699 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |