Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Casrn : 348128-32-5

MolName : Tripotassium (1R,3S,4S,6S)-4,5,6-trihydroxycyclohexane-1,2,3-triyl tris[hydrogen (phosphate)]

MolecularFormula : K.K.K.C6H12O15P3

Smiles : [O-]P(O)(O[C@H]([C@H](C([C@@H]([C@@H]1OP([O-])(O)=O)O)O)O)C1OP([O-])(O)=O)=O.[K+].[K+].[K+]

InChI : InChI=1S/C6H15O15P3.3K/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t1?,2-,3+,4-,5+,6?;;;

InChIK : NONANGHAKWRXKQ-PINHUDGOSA-K

CanonicalSyTyLFy : 7c7c5dbab7160ccb

TotalMolweight : 534.362

Molweight : 417.068

MonoisotopicMass : 416.938911

CLogP : -16.535

CLogS : 4.984

H Acceptors : 15

H Donors : 6

TotalSurfaceArea : 237

Relative PSA : 0.85443

PolarSurfaceArea : 298.89

Druglikeness : -26.998

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.375

Molecula Flexibility : 0.5353

Molecular Complexity : 0.88922

Fragments : 4

Non HAtoms : 24

NonCHAtoms : 18

Electronegative Atoms : 18

StereoCenters : 9

Rotatable Bond : 6

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 21

AcidicOxygens : 6

StereoCon : unknown chirality