| CAS Number | 41012-14-0 |
| Catalog Number | AG01CBC5(AGN-PC-0RPQWI) |
| Chemical Name | D-Fructose, 1,6-bis(dihydrogen phosphate), sodium salt, hydrate |
| IUPAC Name | trisodium;[(2R,3R,4S)-2,3,4-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-5-oxohexyl] phosphate;hydrate |
| InChI | InChI=1S/C6H14O12P2.3Na.H2O/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;;;1H2/q;3*+1;/p-3/t3-,5-,6-;;;;/m1..../s1 |
| InChI Key | ISLNIFDAODOXHN-GNWSQLALSA-K |
| MDL Number | MFCD11045163 |
| Molecular Formula | C6H16NaO13P2 |
| Molecular Weight | 381.1207 |
| SMILES | [C@H]([C@@H](C(COP(=O)(O)O)=O)O)([C@@H](COP(=O)(O)O)O)O.[Na].O |
| Synonyms | D-Fructose 1,6-bisphosphate trisodium salt hydrate, >=98% (TLC),
41012-14-0,
Harden-Young ester,
Hexose diphosphate trisodium salt hydrate,
D-Fructose 1,6-bisphosphate trisodium salt hydrate,
D(+)Fructofuranose 1,6-diphosphate trisodium salt hydrate,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.952447g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.08g/mol |
| Monoisotopic Mass | 423.952447g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 221Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number