(1R,2S,4R)-1,2,4-Cyclohexanetriyltrimethanesulfonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H18O9S3
IUPAC Name [(1r,3s,4r)-3,4-bis(sulfomethyl)cyclohexyl]methanesulfonic acid
Molecular Mass 366.429 g·mol−1
Heat of Formation -1729.4 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 371.94 Å 3
Surface Area 305.25 Å 2
HOMO Energy -11.21 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,3s,4r)-3,4-bis(sulfomethyl)cyclohexyl]methanesulfonic acid
  • ctms
  • cyclohexane-(1r,2r,4r)-tris(methylenesulfonate)
  • cyclohexane-1,2,4-tris(methylenesulfonate)
CAS Number(s)
  • 151301-57-4
InChIKey ZFKUCQBXDACBMI-HRDYMLBCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O