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MEGLUMINE DIATRIZOATE

Catalog No: FT-0701254

CAS No: 131-49-7

Chemical Name: MEGLUMINE DIATRIZOATE
Molecular Formula: C18H26I3N3O9
Molecular Weight: 809.1 g/mol
InChI Key: MIKKOBKEXMRYFQ-WZTVWXICSA-N
InChI: InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/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

MF:	C18H26I3N3O9
LogP:	1.44700
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :9 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :6 ', '6. TPSA 209 ', '7. Heavy Atom Count :33 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :525 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
Exact_Mass:	808.880310
Bolling_Point:	614.1ºC at 760mmHg
Vapor_Pressure:	6.19E-16mmHg at 25°C
FW:	809.127
PSA:	215.66000