CTMS

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 3
PubChem 192530
Molecular Formula

C9H18O9S3

SMILES

C1C[C@H]([C@H](C[C@@H]1CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8+,9-/m1/s1

synonyms
  • 151301-57-4
  • Cyclohexane-1,2,4-tris(methylenesulfonate)
  • Cyclohexane-(1R,2R,4R)-tris(methylenesulfonate)
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Properties
Property Value
MW 366.4 g/mol
HBD 3
HBA 9
Rotatable Bond Count 6
Exact Mass 366.01129567 g/mol
Monoisotopic Mass 366.01129567 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 645
xlogp -1.5
Topological Polar Surface Area 188