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Casrn : 16124-24-6

MolName : (2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxyoxan-2-yl]methyl}amino)propanoic acid (non-preferred name)

MolecularFormula : C9H17NO7

Smiles : C[C@H](C(O)=O)NCC([C@H]([C@@H]1O)O)(O)OC[C@H]1O

InChI : InChI=1S/C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(11)2-17-9/h4-7,10-13,16H,2-3H2,1H3,(H,14,15)/t4-,5+,6+,7+,9?/m1/s1

InChIK : UEKCFAIUNCFLEA-OOIZLEQXSA-N

CanonicalSyTyLFy : 6fba870d50d16cf7

TotalMolweight : 251.234

Molweight : 251.234

MonoisotopicMass : 251.100504

CLogP : -4.6293

CLogS : 0.237

H Acceptors : 8

H Donors : 6

TotalSurfaceArea : 171.15

Relative PSA : 0.58428

PolarSurfaceArea : 139.48

Druglikeness : 1.2669

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58824

Molecula Flexibility : 0.61464

Molecular Complexity : 0.74577

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 5

Rotatable Bond : 4

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 15

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon : unknown chirality