Physicochemical Properties
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.15 |
| Exact Mass | 117.078 |
| CAS # | 640-68-6 |
| Related CAS # | L-Valine;72-18-4;D-Valine-d8;1116448-82-8 |
| PubChem CID | 71563 |
| Appearance | White to off-white solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 213.6±23.0 °C at 760 mmHg |
| Melting Point | >295 °C (subl.)(lit.) |
| Flash Point | 83.0±22.6 °C |
| Vapour Pressure | 0.1±0.9 mmHg at 25°C |
| Index of Refraction | 1.461 |
| LogP | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 8 |
| Complexity | 90.4 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(C)[C@H](C(=O)O)N |
| InChi Key | KZSNJWFQEVHDMF-SCSAIBSYSA-N |
| InChi Code | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1 |
| Chemical Name | (2R)-2-amino-3-methylbutanoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Human Endogenous Metabolite |
| References |
[1]. McCormack AL, Di Monte DA. Effects of L-dopa and other amino acids against paraquat-induced nigrostriatal degeneration. J Neurochem. 2003 Apr;85(1):82-6. [2]. Effects of D-valine on pulmonary artery endothelial cell morphology and function in cell culture. Exp Cell Res. 1984 Mar;151(1):134-47. [3]. Effects of d-valine on periodontal or peri-implant pathogens: Porphyromonas gingivalis biofilm. J Periodontol. 2018 Mar;89(3):303-314. |
| Additional Infomation | D-valine is the D-enantiomer of valine. It is a valine and a D-alpha-amino acid. It is a conjugate base of a D-valinium. It is a conjugate acid of a D-valinate. It is an enantiomer of a L-valine. It is a tautomer of a D-valine zwitterion. |
Solubility Data
| Solubility (In Vitro) |
H2O: 14.29 mg/mL (121.98 mM) DMSO: < 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (853.61 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.5361 mL | 42.6803 mL | 85.3606 mL | |
| 5 mM | 1.7072 mL | 8.5361 mL | 17.0721 mL | |
| 10 mM | 0.8536 mL | 4.2680 mL | 8.5361 mL |