(2R)-3-{[1,3-Dihydroxy-2-(Hydroxymethyl)-2-Propanyl]Ammonio}-2-Hydroxy-1-Propanesulfonate

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Properties Simple | Detailed

Formula C7H17NO7S
IUPAC Name (2r)-2-hydroxy-3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propane-1-sulfonic acid
Molecular Mass 259.277 g·mol−1
Heat of Formation -1346.6 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 283.11 Å 3
Surface Area 257.44 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-hydroxy-3-(2-hydroxy-1,1-dimethylol-ethyl)ammonio-propane-1-sulfonate
  • (2r)-2-hydroxy-3-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio-propane-1-sulfonate
  • (2r)-2-hydroxy-3-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammoniopropane-1-sulfonate
  • (2r)-3-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azaniumyl-2-hydroxy-propane-1-sulfonate
InChIKey RZQXOGQSPBYUKH-ZCFIWIBFSA-N
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