Fosfructose trisodiumProduct ingredient for Fosfructose
- Name
- Fosfructose trisodium
- Drug Entry
- Fosfructose
- Accession Number
- DBSALT003042
- Structure
Structure for Fosfructose trisodium (DBSALT003042)
- Synonyms
- Fosfructose trisodium
- External IDs
- CPC-111
- UNII
- 463VBZ2YVD
- CAS Number
- 81028-91-3
- Weight
- Average: 550.179
Monoisotopic: 550.02640011 - Chemical Formula
- C6H27Na3O20P2
- InChI Key
- BUMXRRGJJDMPRT-PESUWTOCSA-K
- InChI
- InChI=1S/C6H14O12P2.3Na.8H2O/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);;;;8*1H2/q;3*+1;;;;;;;;/p-3/t3-,5-,6-;;;;;;;;;;;/m1.........../s1
- IUPAC Name
- trisodium octahydrate (2R,3R,4S)-6-(hydrogen phosphonatooxy)-2,3,4-trihydroxy-5-oxohexyl phosphate
- SMILES
- O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@](O)(COP([O-])([O-])=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)([O-])=O
- External Links
- ChemSpider
- 29272057
- Predicted Properties
Property Value Source Water Solubility 48.6 mg/mL ALOGPS logP -0.83 ALOGPS logP -3.5 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 1.01 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 219.77 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 55.94 m3·mol-1 Chemaxon Polarizability 24.65 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon