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Casrn : 68073-09-6

MolName : Dextrose mixture with Sodium Chloride, Potassium Acetate and Magnesium Acetate

MolecularFormula : K.Cl.Mg.Na.C2H3O2.C2H3O2.C2H3O2.C6H12O6

Smiles : CC([O-])=O.CC([O-])=O.CC([O-])=O.OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)OC1O.[Na+].[Mg+2].[Cl-].[K+]

InChI : InChI=1S/C6H12O6.3C2H4O2.ClH.K.Mg.Na/c7-1-2-3(8)4(9)5(10)6(11)12-2;3*1-2(3)4;;;;/h2-11H,1H2;3*1H3,(H,3,4);1H;;;/q;;;;;+1;+2;+1/p-4/t2-,3+,4-,5-,6?;;;;;;;/m1......./s1

InChIK : GRPSNTXTTSBKGW-VUOOJULISA-J

CanonicalSyTyLFy : 351cb395182faff9

TotalMolweight : 479.133

Molweight : 180.155

MonoisotopicMass : 180.06339

CLogP : -2.6208

CLogS : 0.251

H Acceptors : 6

H Donors : 5

TotalSurfaceArea : 118.01

Relative PSA : 0.63978

PolarSurfaceArea : 110.38

Druglikeness : -3.7768

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58333

Molecula Flexibility : 0.39344

Molecular Complexity : 0.74432

Fragments : 8

Non HAtoms : 12

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 5

Rotatable Bond : 1

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 12

StereoCon : unknown chirality