CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Leaflets from water + alcohol |
| Boiling Point | Sublimes |
| Melting Point | 315 °C |
| Solubility | 58500 mg/L (at 25 °C) |
| Density | 1.23 g/cu cm at 25 °C |
| Vapor Pressure | 0.00000003 [mmHg] |
| LogP | -2.26 |
| Optical Rotation | Specific optical rotation: +22.9 deg at 23 °C/D (c = 0.8 in 20% HCl). Molecular rotation: + 33.1 deg at at sodium line (5N HCl); + 72.6 deg at sodium line (glacial acetic acid) |
| Decomposition | When heated to decomposition, it emits toxic fumes of /nitric oxides/. |
| Ionization Efficiency | Negative |
| Dissociation Constants | 2.3 (at 13 °C) |
| Collision Cross Section | 134.28 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Other Experimental Properties | Sublimes without melting at ordinary speed of heating. Decomposes at 298 °C (closed capillary, very rapid heating). One part dissolves in 11.7 parts of water at 15 °C, in 14.1 parts of water at 25 °C. Insoluble in common neutral solvents. /Valine DL-form/ |
| Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 117.15 g/mol |
|---|---|
| XLogP3 | -2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 117.078978594 g/mol |
| Monoisotopic Mass | 117.078978594 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 90.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
L-valine is the L-enantiomer of valine. It has a role as a nutraceutical, a micronutrient, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a pyruvate family amino acid, a proteinogenic amino acid, a valine and a L-alpha-amino acid. It is a conjugate base of a L-valinium. It is a conjugate acid of a L-valinate. It is an enantiomer of a D-valine. It is a tautomer of a L-valine zwitterion.