Physicochemical Properties
| Molecular Formula | C3H4D3NO3 |
| Molecular Weight | 108.11 |
| Exact Mass | 108.061 |
| CAS # | 105591-10-4 |
| Related CAS # | L-Serine;56-45-1 |
| PubChem CID | 54089883 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 394.8±32.0 °C at 760 mmHg |
| Flash Point | 192.6±25.1 °C |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.519 |
| LogP | -1.58 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 7 |
| Complexity | 72.6 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | [2H][C@@](C(=O)O)(C([2H])([2H])O)N |
| InChi Key | MTCFGRXMJLQNBG-RBXBQAPRSA-N |
| InChi Code | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D2,2D |
| Chemical Name | (2S)-2-amino-2,3,3-trideuterio-3-hydroxypropanoic 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
| ln Vitro | Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1]. |
| References |
[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |
Solubility Data
| Solubility (In Vitro) | H2O: 125 mg/mL (1156.23 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (462.49 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 | 9.2498 mL | 46.2492 mL | 92.4984 mL | |
| 5 mM | 1.8500 mL | 9.2498 mL | 18.4997 mL | |
| 10 mM | 0.9250 mL | 4.6249 mL | 9.2498 mL |