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

Casrn : 359437-01-7

MolName : Tetrapotassium methyl 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranoside

MolecularFormula : K.K.K.K.C7H10O18S4

Smiles : CO[C@H]([C@@H]([C@H]1OS([O-])(=O)=O)OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O.[K+].[K+].[K+].[K+]

InChI : InChI=1S/C7H14O18S4.4K/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10;;;;/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19);;;;/q;4*+1/p-4/t3-,4-,5-,6+,7-;;;;/m0..../s1

InChIK : HZPXCLIBFFIKEA-BEDZAGQOSA-J

CanonicalSyTyLFy : 421ca5c684d7406

TotalMolweight : 666.794

Molweight : 510.402

MonoisotopicMass : 509.875

CLogP : -13.642

CLogS : 4.707

H Acceptors : 18

TotalSurfaceArea : 292.96

Relative PSA : 0.79001

PolarSurfaceArea : 317.7

Druglikeness : -7.6828

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : alkyl sulfonate/sulfate type

Shape Index : 0.37931

Molecula Flexibility : 0.49564

Molecular Complexity : 0.88979

Fragments : 5

Non HAtoms : 29

NonCHAtoms : 22

Electronegative Atoms : 22

StereoCenters : 5

Rotatable Bond : 10

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 21

Symmetricatoms : 4

AcidicOxygens : 4

StereoCon : this enantiomer