CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to light yellow solid; [HSDB] |
|---|---|
| Color/Form | White to light yellow crystalline powder |
| Odor | Slightly pungent odor |
| Melting Point | 215 °C |
| Solubility | Water solubility 1370 g/l (+/- 11%) |
| Density | 1.4 g/ml at 20 °C |
| LogP | log Kow < 0.1 (pH 7, 22 °C) |
| Stability/Shelf Life | Stable /with exposure to/ light. |
| Corrosivity | Non-corrosive |
| Dissociation Constants | pKa1 = <2; pKa2 = 2.9; pKa3 = 9.8 |
| Collision Cross Section | 140.15 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Other Experimental Properties | Aqueous hydrolysis rate <0.0023/day at 25 °C and pH 5,7,9 |
| Chemical Classes | Pesticides -> Herbicides, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 181.13 g/mol |
|---|---|
| XLogP3 | -5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 181.05039486 g/mol |
| Monoisotopic Mass | 181.05039486 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is a non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is a member of phosphinic acids and a non-proteinogenic alpha-amino acid.