Atorvastatin

Catalog No: FT-0651989

CAS No: 110862-48-1

Chemical Name: Atorvastatin
Molecular Formula: C33H35FN2O5
Molecular Weight: 558.6
InChI Key: XUKUURHRXDUEBC-KAYWLYCHSA-N
InChI: InChI=1S/C33H35FN2O5/c1-21(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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

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