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Casrn : 103476-30-8

MolName : Potassium (2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl hydrogen phosphate

MolecularFormula : K.C6H13O12P2

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

InChI : InChI=1S/C6H14O12P2.K/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13;/h1-10H,(H2,11,12,13)(H2,14,15,16);/q;+1/p-1/t1-,2+,3+,4-,5?,6?;

InChIK : UEZPJWQBOCTMMK-LFNUAJAJSA-M

CanonicalSyTyLFy : 1f39cfa654efaecc

TotalMolweight : 378.203

Molweight : 339.105

MonoisotopicMass : 338.988229

CLogP : -10.796

CLogS : 3.404

H Acceptors : 12

H Donors : 7

TotalSurfaceArea : 194.52

Relative PSA : 0.82264

PolarSurfaceArea : 236.89

Druglikeness : -29.442

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.51612

Molecular Complexity : 0.82538

Fragments : 2

Non HAtoms : 20

NonCHAtoms : 14

Electronegative Atoms : 14

StereoCenters : 7

Rotatable Bond : 4

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 18

Symmetricatoms : 1

AcidicOxygens : 4

StereoCon : unknown chirality