Physicochemical Properties
| Molecular Formula | C5H2D6O4 |
| Molecular Weight | 138.15 |
| Exact Mass | 138.079 |
| CAS # | 154184-99-3 |
| Related CAS # | Glutaric acid;110-94-1 |
| PubChem CID | 56845854 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 302.9±15.0 °C at 760 mmHg |
| Flash Point | 151.2±16.9 °C |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.477 |
| LogP | -1.04 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 9 |
| Complexity | 104 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C(=O)O |
| InChi Key | JFCQEDHGNNZCLN-NMFSSPJFSA-N |
| InChi Code | InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/i1D2,2D2,3D2 |
| Chemical Name | 2,2,3,3,4,4-hexadeuteriopentanedioic 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
| References |
[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Production of glutaric acid from 5-aminovaleric acid by robust whole-cell immobilized with polyvinyl alcohol and polyethylene glycol. Enzyme Microb Technol. 2019 Sep;128:72-78. [3]. Proposed recommendations for diagnosing and managing individuals with glutaric aciduria type I: second revision. J Inherit Metab Dis. 2017 Jan;40(1):75-101. [4]. Glutaric Acid Affects Pericyte Contractility and Migration: Possible Implications for GA-I Pathogenesis. Mol Neurobiol. 2019 Nov;56(11):7694-7707. |
Solubility Data
| Solubility (In Vitro) | DMSO :~125 mg/mL (~904.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (15.06 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (15.06 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (15.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2385 mL | 36.1925 mL | 72.3851 mL | |
| 5 mM | 1.4477 mL | 7.2385 mL | 14.4770 mL | |
| 10 mM | 0.7239 mL | 3.6193 mL | 7.2385 mL |