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

Casrn : 103882-92-4

MolName : D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, monopotassium salt

MolecularFormula : K.C11H18NO9

Smiles : CC(N[C@H]([C@H](C1)O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@@]1(C([O-])=O)O)=O.[K+]

InChI : InChI=1S/C11H19NO9.K/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);/q;+1/p-1/t5-,6-,7+,8-,9-,11+;/m1./s1

InChIK : LHXZKRNKFQCJFJ-KKKMBQEESA-M

CanonicalSyTyLFy : 182da8f1a8f160b8

TotalMolweight : 347.36

Molweight : 308.262

MonoisotopicMass : 308.098159

CLogP : -5.9811

CLogS : 0.114

H Acceptors : 10

H Donors : 6

TotalSurfaceArea : 208.93

Relative PSA : 0.60939

PolarSurfaceArea : 179.61

Druglikeness : 1.7167

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.42857

Molecula Flexibility : 0.52454

Molecular Complexity : 0.86889

Fragments : 2

Non HAtoms : 21

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 6

Rotatable Bond : 5

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 16

Amides : 1

AcidicOxygens : 1

StereoCon : this enantiomer