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

Casrn : 34393-18-5

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

MolecularFormula : C12H23NO7

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

InChI : InChI=1S/C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(14)4-20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t7-,8+,9+,10+,12?/m1/s1

InChIK : ZVFBUGZJZNDPOS-XJXLOBPASA-N

CanonicalSyTyLFy : ba2c6e4e77382fe4

TotalMolweight : 293.315

Molweight : 293.315

MonoisotopicMass : 293.147454

CLogP : -3.5022

CLogS : -0.463

H Acceptors : 8

H Donors : 6

TotalSurfaceArea : 209.67

Relative PSA : 0.47694

PolarSurfaceArea : 139.48

Druglikeness : -5.9662

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55

Molecula Flexibility : 0.65169

Molecular Complexity : 0.76113

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 5

Rotatable Bond : 6

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 18

Symmetricatoms : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon : unknown chirality