Physicochemical Properties
| Molecular Formula | C7H14O7 |
| Molecular Weight | 210.18186 |
| Exact Mass | 210.073 |
| CAS # | 3615-44-9 |
| Related CAS # | D-Mannoheptulose-13C |
| PubChem CID | 102926 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 628.0±55.0 °C at 760 mmHg |
| Melting Point | 151-152ºC |
| Flash Point | 347.6±28.0 °C |
| Vapour Pressure | 0.0±4.2 mmHg at 25°C |
| Index of Refraction | 1.597 |
| LogP | -2.47 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 14 |
| Complexity | 183 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C([C@H]([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O)O |
| InChi Key | HSNZZMHEPUFJNZ-QMTIVRBISA-N |
| InChi Code | InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1 |
| Chemical Name | (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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]. D-mannoheptulose and perseitol in ‘Hass’ avocado: Metabolism in seed and mesocarp tissue. South African Journal of Botany. 2012 Mar; 79:159-165. [2]. D-mannoheptulose phosphorylation by hexokinase isoenzymes. Int J Mol Med. 2001 Apr;7(4):359-63. [3]. Metabolic effects of insulin blockade by D-mannoheptulose in the sand rat (Psammomys obesus) and the rat. Gen Comp Endocrinol. 1972 Oct;19(2):341-4. |
| Additional Infomation |
1,3,4,5,6,7-hexahydroxyheptan-2-one is a heptose. D-manno-2-Heptulose has been reported in Hylotelephium spectabile with data available. See also: Sedoheptulose (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~475.78 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 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 25.0 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: ≥ 2.5 mg/mL (11.89 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 25.0 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: ≥ 2.5 mg/mL (11.89 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 25.0 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 | 4.7578 mL | 23.7891 mL | 47.5783 mL | |
| 5 mM | 0.9516 mL | 4.7578 mL | 9.5157 mL | |
| 10 mM | 0.4758 mL | 2.3789 mL | 4.7578 mL |