| CAS Number | 339221-91-9 |
| Catalog Number | AG00CL1T |
| Chemical Name | Fluo-3, pentaammonium salt |
| IUPAC Name | pentaazanium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-(2,7-dichloro-3-oxido-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate |
| InChI | InChI=1S/C36H30Cl2N2O13.5H3N/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36;;;;;/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50);5*1H3 |
| InChI Key | ABPVTPOQYAKASW-UHFFFAOYSA-N |
| MDL Number | MFCD28047484 |
| Molecular Formula | C36H45Cl2N7O13 |
| Molecular Weight | 854.6876 |
| SMILES | O=C1C(Cl)=CC(C(O2)=C1)=C(C3=CC=C(N(CC([O-])=O)CC([O-])=O)C(OCCOC4=C(N(CC([O-])=O)CC([O-])=O)C=CC(C)=C4)=C3)C5=C2C=C([O-])C(Cl)=C5.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+] |
| Synonyms | Fluo 3,
Fluo-3,
fluo-3-AM,
Fluo 3,
DTXSID60657539,
121714-13-4,
339221-91-9,
pentaammonium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]-5-(2,7-dichloro-3-oxido-6-oxoxanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl](carboxylatomethyl)amino}acetate,
Pentakisammonium 2,2'-{[2-(2-{2-[bis(carboxylatomethyl)amino]-5-(2,7-dichloro-6-oxido-3-oxo-3H-xanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl]azanediyl}diacetate,
Fluo-3, pentaammonium salt,
134907-84-9,
|
| Complexity | 1420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 853.245g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 58 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 854.692g/mol |
| Monoisotopic Mass | 853.245g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 240A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number