(2R,3R,4S)-2-({[(1S)-2-Hydroxy-1-Phenylethyl]Amino}Methyl)-3,4-Pyrrolidinediol

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Properties Simple | Detailed

Formula C13H20N2O3
IUPAC Name (2r,3r,4s)-2-[[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]methyl]pyrrolidine-3,4-diol
Molecular Mass 252.309 g·mol−1
Heat of Formation -445.0 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 316.16 Å 3
Surface Area 284.7 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
  • (2r,3r,4s)-2-[[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]methyl]pyrrolidine-3,4-diol
  • (2r,3r,4s)-2-[[[(1s)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
  • gb2
InChIKey OGMKEJTXCCFISS-FVCCEPFGSA-N
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