Chem Sorbitol 2 Unilink | Cheminformatics
2D Structure

Sorbitol


  • SKU Code: CH139785
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Chemical Name - Sorbitol
Mol Weight - 182.171
Smiles - OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
Property Name Property Value
Mol NameSorbitol
Molweight182.171
Monoisotopic Mass182.07904
Clogp-3.1458
Clogs0.546
H Acceptors6
H Donors6
Total Surface Area129.12
Relative Psa0.60874
Polar Surface Area121.38
Druglikeness-0.1995
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.74678
Molecular Complexity0.63561
Fragments1
Non H Atoms12
Non Ch Atoms6
Electronegative Atoms6
Stereo Centers4
Rotatable Bonds5
Sp3 Atoms12
SmilesOC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
InChIKeyInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIFBPFZTCFMRRESA-JGWLITMVSA-N

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