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Casrn : 103497-71-8

MolName : Octapotassium (1R,2S,3S,4R,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis(phosphate)

MolecularFormula : K.K.K.K.K.K.K.K.C6H8O18P4

Smiles : [O-]P([O-])(O[C@H]([C@@H]([C@@H]([C@H]([C@@H]1OP([O-])([O-])=O)OP([O-])([O-])=O)O)O)[C@@H]1OP([O-])([O-])=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI : InChI=1S/C6H16O18P4.8K/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2+,3-,4-,5+,6+;;;;;;;;/m1......../s1

InChIK : KOARMWMDZTZZSB-FPQWBLQBSA-F

CanonicalSyTyLFy : 6d454c894850b3ff

TotalMolweight : 804.792

Molweight : 492.008

MonoisotopicMass : 491.866118

CLogP : -26.017

CLogS : 6.564

H Acceptors : 18

H Donors : 2

TotalSurfaceArea : 283.02

Relative PSA : 0.8781

PolarSurfaceArea : 369.38

Druglikeness : -20.593

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.35714

Molecula Flexibility : 0.49357

Molecular Complexity : 0.92014

Fragments : 9

Non HAtoms : 28

NonCHAtoms : 22

Electronegative Atoms : 22

StereoCenters : 6

Rotatable Bond : 8

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 24

Symmetricatoms : 4

AcidicOxygens : 8

StereoCon : this enantiomer