20226-99-7
Product Name:
(1R,2S)-1-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID MONOPOTASSIUM SALT
Formula:
C6H9KO7
Synonyms:
(1R,2S)-1-Hydroxy-1,2,3-propanetricarboxylic acid monopotassium salt;Ds-(+)-threo-Isocitric acid monopotassium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 230.21 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 229.98288404 g/mol |
| Monoisotopic Mass | 229.98288404 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 238 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |