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Casrn : 95100-20-2

MolName : Bis(alpha-D-galacturonato-O4,O6)magnesium

MolecularFormula : Mg.C6H9O7.C6H9O7

Smiles : [O-][C@H]([C@@H]([C@H]1O)O)[C@@H](C(O)=O)O[C@@H]1O.[O-]C([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O)=O.[Mg+2]

InChI : InChI=1S/C6H10O7.C6H9O7.Mg/c2*7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);1-4,6-7,9,12H,(H,10,11);/q;-1;+2/p-1/t2*1-,2-,3+,4+,6+;/m11./s1

InChIK : HICMIQFGUMTQGN-DDPJRLKZSA-M

CanonicalSyTyLFy : 9834d80a2f30aeb5

TotalMolweight : 410.566

Molweight : 193.13

MonoisotopicMass : 193.03483

CLogP : -5.0464

CLogS : 0.269

H Acceptors : 7

H Donors : 4

TotalSurfaceArea : 123.18

Relative PSA : 0.72837

PolarSurfaceArea : 130.28

Druglikeness : -0.85046

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53846

Molecula Flexibility : 0.33914

Molecular Complexity : 0.79792

Fragments : 3

Non HAtoms : 13

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 5

Rotatable Bond : 1

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 11

AcidicOxygens : 1

StereoCon : this enantiomer