Atorvastatin
Catalog No: FT-0651989
CAS No: 110862-48-1
- Molecular Formula: 1155.3
- Formula Weight: C66H68CaF2N4O10
- Inchl Key: FQCKMBLVYCEXJB-MNSAWQCASA-L
- Inchl: InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
| Assay | Pack | 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: | 110862-48-1 |
| MF: | C33H35FN2O5 |
| Flash_Point: | 390.6±32.9 °C |
| Product_Name: | Atorvastatin |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 558.640 |
| Bolling_Point: | 722.2±60.0 °C at 760 mmHg |
| Refractive_Index: | 1.603 |
|---|---|
| Vapor_Pressure: | 0.0±2.5 mmHg at 25°C |
| Flash_Point: | 390.6±32.9 °C |
| LogP: | 4.13 |
| Bolling_Point: | 722.2±60.0 °C at 760 mmHg |
| FW: | 558.640 |
| PSA: | 111.79000 |
| Computational_Chemistry: | ['1 . XlogP 5 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 112 ', '7 . Heavy Atom Count 41 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 822 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1'] |
| MF: | C33H35FN2O5 |
| Exact_Mass: | 558.252991 |
| Molecular_Structure: | ['1. Molar refractive index 15521 ', '2. Molar volume 4519 ', '3. Parachor （902K）11766 ', '4. Surface tension 459 ', '5. Dielectric constant N/A ', '6. Polarizability 6153 ', '7. Single isotope mass 558253 Da ', '8. Nominal mass 558 Da ', '9. Average mass 5586398 Da'] |
| Density: | 1.2±0.1 g/cm3 |
| HS_Code: | 2942000000 |
|---|
