Physicochemical Properties
| Molecular Formula | C7H13NO7 |
| Molecular Weight | 223.18 |
| Exact Mass | 223.069 |
| CAS # | 81846-60-8 |
| PubChem CID | 22865379 |
| Appearance | White to off-white solid powder |
| LogP | -2.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 15 |
| Complexity | 230 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[N+](=O)[O-] |
| InChi Key | CNILFIXWGGSLAQ-PJEQPVAWSA-N |
| InChi Code | InChI=1S/C7H13NO7/c9-2-4-6(11)7(12)5(10)3(15-4)1-8(13)14/h3-7,9-12H,1-2H2/t3-,4+,5-,6+,7+/m0/s1 |
| Chemical Name | (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol |
| 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]. Preparation of some glycosyl derivatives of nitromethane. Chemicke Zvesti (1982), 36(1), 103-110. |
Solubility Data
| Solubility (In Vitro) | H2O: 31.25 mg/mL (140.02 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (448.07 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 | 4.4807 mL | 22.4034 mL | 44.8069 mL | |
| 5 mM | 0.8961 mL | 4.4807 mL | 8.9614 mL | |
| 10 mM | 0.4481 mL | 2.2403 mL | 4.4807 mL |