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Casrn : 97397-05-2

MolName : Plasmalyte A

MolecularFormula : K.Cl.Cl.Cl.Cl.Mg.Na.Na.Na.C6H11O7.C2H3O2.H2O.H2O.H2O.H2O.H2O.H2O.H2O.H2O.H2O

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

InChI : InChI=1S/C6H12O7.C2H4O2.4ClH.K.Mg.3Na.9H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(3)4;;;;;;;;;;;;;;;;;;/h2-5,7-11H,1H2,(H,12,13);1H3,(H,3,4);4*1H;;;;;;9*1H2/q;;;;;;+1;+2;3*+1;;;;;;;;;/p-6/t2-,3-,4+,5-;;;;;;;;;;;;;;;;;;;/m1.................../s1

InChIK : FVVLHONNBARESJ-NTOWJWGLSA-H

CanonicalSyTyLFy : 185d4e9198da61df

TotalMolweight : 690.509

Molweight : 195.146

MonoisotopicMass : 195.05048

CLogP : -5.5714

CLogS : 0.564

H Acceptors : 7

H Donors : 5

TotalSurfaceArea : 134.29

Relative PSA : 0.69119

PolarSurfaceArea : 141.28

Druglikeness : 2.2224

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61538

Molecula Flexibility : 0.70461

Molecular Complexity : 0.6553

Fragments : 20

Non HAtoms : 13

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 4

Rotatable Bond : 5

Sp3Atoms : 11

AcidicOxygens : 1

StereoCon : this enantiomer