Sucrosofate potassiumProduct ingredient for Sucrosofate
- Name
- Sucrosofate potassium
- Drug Entry
- Sucrosofate
- Accession Number
- DBSALT002733
- Structure
Structure for Sucrosofate potassium (DBSALT002733)
- Synonyms
- Sucrose octakis(potassium sulfate), heptahydrate
- External IDs
- AGENT M-01 / AGENT-M-01 / AGENTM-01
- UNII
- E6JGE99TEM
- CAS Number
- 76578-81-9
- Weight
- Average: 1413.58
Monoisotopic: 1411.49173625 - Chemical Formula
- C12H28K8O42S8
- InChI Key
- ZLYYTLMQNBUBHA-NGOJJLSFSA-F
- InChI
- InChI=1S/C12H22O35S8.8K.7H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;7*1H2/q;8*+1;;;;;;;/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;/m1.............../s1
- IUPAC Name
- octapotassium heptahydrate [(2S,3S,4R,5R)-3,4-bis(sulfooxy)-5-[(sulfooxy)methyl]-2-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl sulfate
- SMILES
- O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC[C@H]1O[C@@](COS([O-])(=O)=O)(O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
- External Links
- ChemSpider
- 30791825
- ChEMBL
- CHEMBL3989532
- Predicted Properties
Property Value Source Water Solubility 4.77 mg/mL ALOGPS logP 0.18 ALOGPS logP -4.1 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) -3.4 Chemaxon Physiological Charge -8 Chemaxon Hydrogen Acceptor Count 27 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 559.13 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 139.73 m3·mol-1 Chemaxon Polarizability 70.16 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon