Sucrosofate potassiumProduct ingredient for Sucrosofate

Name
Sucrosofate potassium
Drug Entry
Sucrosofate
Accession Number
DBSALT002733
Structure
Thumb
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
ChemSpider
30791825
ChEMBL
CHEMBL3989532
Predicted Properties
PropertyValueSource
Water Solubility4.77 mg/mLALOGPS
logP0.18ALOGPS
logP-4.1ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)-3.4ChemAxon
Physiological Charge-8ChemAxon
Hydrogen Acceptor Count27ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area559.13 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity139.73 m3·mol-1ChemAxon
Polarizability70.16 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon