| CAS Number | 1780260-20-9 |
| Catalog Number | AG01E2TI |
| Chemical Name | GalloflavinPotassiumsalt |
| IUPAC Name | potassium;2,9,10-trihydroxy-6,8-dioxopyrano[3,2-c]isochromen-3-olate |
| InChI | InChI=1S/C12H6O8.K/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10;/h1-2,14-16,18H;/q;+1/p-1 |
| InChI Key | ZXTYKQDMPYEPEX-UHFFFAOYSA-M |
| MDL Number | MFCD25563262 |
| Molecular Formula | C12H5KO8 |
| Molecular Weight | 316.2616 |
| SMILES | OC1=C(C(O)=C2C3=C(C=C(C(O3)=O)O[K])OC(C2=C1)=O)O |
| Synonyms | 1780260-20-9,
GalloflavinPotassiumsalt,
AKOS024458351,
3,8,9,10-Tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione potassium salt,
Galloflavin,
XSPGPNGPTLAWMC-UHFFFAOYSA-M,
|
| Complexity | 734 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.262g/mol |
| Monoisotopic Mass | 315.962g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number