Physicochemical Properties
Molecular Formula | C11H13IN4O2 |
Molecular Weight | 360.15 |
Exact Mass | 360.008 |
CAS # | 114748-70-8 |
PubChem CID | 14159244 |
Appearance | White to off-white solid powder |
Density | 2.2±0.1 g/cm3 |
Boiling Point | 579.3±50.0 °C at 760 mmHg |
Flash Point | 304.2±30.1 °C |
Vapour Pressure | 0.0±1.7 mmHg at 25°C |
Index of Refraction | 1.847 |
LogP | 0.89 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Heavy Atom Count | 18 |
Complexity | 309 |
Defined Atom Stereocenter Count | 2 |
SMILES | C1C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)I |
InChi Key | OEZWDZXBBPSXGY-POYBYMJQSA-N |
InChi Code | InChI=1S/C11H13IN4O2/c12-7-3-16(8-2-1-6(4-17)18-8)11-9(7)10(13)14-5-15-11/h3,5-6,8,17H,1-2,4H2,(H2,13,14,15)/t6-,8+/m0/s1 |
Chemical Name | [(2S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol |
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: This product requires protection from light (avoid light exposure) during transportation and storage. |
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]. Thiotriphosphate nucleotide dye terminators for use in nucleic acid sequencing. US20060281100A1. |
Solubility Data
Solubility (In Vitro) | DMSO : 125 mg/mL (347.08 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.78 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 (5.78 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 (5.78 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 | 2.7766 mL | 13.8831 mL | 27.7662 mL | |
5 mM | 0.5553 mL | 2.7766 mL | 5.5532 mL | |
10 mM | 0.2777 mL | 1.3883 mL | 2.7766 mL |