5S-HYDROXY-6R-(S-(2-OXO-3-THIOPROPIONYL))-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID
Catalog No: FT-0642877
CAS No: 117675-20-4
- Chemical Name: 5S-HYDROXY-6R-(S-(2-OXO-3-THIOPROPIONYL))-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID
- Molecular Formula: C23H34O6S
- Molecular Weight: 438.6
- InChI Key: IBQMGZLNUJDKJY-OODJPBEGSA-N
- InChI: InChI=1S/C23H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-20(25)23(28)29)19(24)15-14-17-22(26)27/h6-7,9-13,16,19,21,24H,2-5,8,14-15,17-18H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,21+/m0/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 117675-20-4 |
| MF: | C23H34O6S |
| Flash_Point: | 344.8ºC |
| Product_Name: | (5S,6R,7E,9E,11Z,14Z)-6-(2-carboxy-2-oxoethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
| Density: | 1.15g/cm3 |
| FW: | 438.57700 |
| Bolling_Point: | 646.5ºC at 760mmHg |
| Refractive_Index: | 1.549 |
|---|---|
| Vapor_Pressure: | 1.9E-19mmHg at 25°C |
| Flash_Point: | 344.8ºC |
| LogP: | 4.55290 |
| Bolling_Point: | 646.5ºC at 760mmHg |
| FW: | 438.57700 |
| PSA: | 137.20000 |
| Computational_Chemistry: | ['1. XlogP :51 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :18 ', '5. Isotope Atom Count :2 ', '6. TPSA 137 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :621 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :4 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| MF: | C23H34O6S |
| Exact_Mass: | 438.20800 |
| Molecular_Structure: | ['1. Molar refractive index 12144 ', '2. Molar volume 3812 ', '3. Parachor （902K）10068 ', '4. Surface tension 486 ', '5. Dielectric constant N/A ', '6. Polarizability 4814 ', '7. Single isotope mass 438207609 Da ', '8. Nominal mass 438 Da ', '9. Average mass 4385775 Da'] |
| Density: | 1.15g/cm3 |
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