| CAS Number | 113694-64-7 |
| Catalog Number | AG008RJT(AGN-PC-0P597S) |
| Chemical Name | Fura-2 (potassium salt) |
| IUPAC Name | pentapotassium;2-[5-[bis(carboxylatomethyl)amino]-6-[2-[2-[bis(carboxylatomethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate |
| InChI | InChI=1S/C29H27N3O14.5K/c1-15-2-3-17(31(11-24(33)34)12-25(35)36)20(6-15)43-4-5-44-21-9-19-16(7-18(21)32(13-26(37)38)14-27(39)40)8-22(45-19)28-30-10-23(46-28)29(41)42;;;;;/h2-3,6-10H,4-5,11-14H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;;/q;5*+1/p-5 |
| InChI Key | UWWQTPKFFHMJPU-UHFFFAOYSA-I |
| MDL Number | MFCD00083328 |
| Molecular Formula | C29H22K5N3O14 |
| Molecular Weight | 831.9882 |
| SMILES | [O-]C(CN(C1=CC2=C(C=C(C3=NC=C(C([O-])=O)O3)O2)C=C1OCCOC(C=C(C)C=C4)=C4N(CC([O-])=O)CC([O-])=O)CC([O-])=O)=O.[K+].[K+].[K+].[K+].[K+] |
| Synonyms | Fura 2 pentapotassium salt,
113694-64-7,
Fura-2 potassium salt,
MFCD00083328,
AKOS015909067,
FT-0626568,
potassium 2,2'-(2-(2-(5-(bis(carboxylatomethyl)amino)-2-(5-carboxylatooxazol-2-yl)benzofuran-6-yloxy)ethoxy)-4-methylphenylazanediyl)diacetate,
FURA-2 Pentapotassium Salt,
I14-32970,
|
| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 830.92871g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 832g/mol |
| Monoisotopic Mass | 830.92871g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 265Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number