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

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Properties Simple | Detailed

Formula C13H20N2O3
IUPAC Name (2r,3r,4s)-2-[[[(1r)-2-hydroxy-1-phenyl-ethyl]amino]methyl]pyrrolidine-3,4-diol
Molecular Mass 252.309 g·mol−1
Heat of Formation -450.5 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 310.75 Å 3
Surface Area 280.44 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
  • (2r,3r,4s)-2-[[[(1r)-2-hydroxy-1-phenyl-ethyl]amino]methyl]pyrrolidine-3,4-diol
  • (2r,3r,4s)-2-[[[(1r)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
  • gb1
InChIKey OGMKEJTXCCFISS-MROQNXINSA-N
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