(3S,4R)-3-[(S)-Hydroxy(Phenyl)Methyl]-4-[(1-Methyl-1H-Imidazol-4-Yl)Methyl]Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C16H18N2O3
IUPAC Name (3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-1-ium-4-ylium-4-yl)methyl]tetrahydrofuran-2-one
Molecular Mass 286.326 g·mol−1
Heat of Formation -350.3 ± 16.7 kJ·mol−1
Dipole Moment 7.79 ± 1.08 D
Volume 346.34 Å 3
Surface Area 275.69 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-3-[(s)-hydroxy-phenyl-methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one
  • (3s,4r)-3-[(s)-hydroxy-phenyl-methyl]-4-[(1-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one
  • (3s,4r)-3-[(s)-hydroxy-phenylmethyl]-4-[(1-methyl-4-imidazolyl)methyl]-2-tetrahydrofuranone
  • (3s,4r)-3-[(s)-hydroxy-phenylmethyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one
  • 2(3h)-furanone, dihydro-3-((s)-hydroxyphenylmethyl)-4-((1-methyl-1h-imidazol-4-yl)methyl)-, (3s,4r)-
CAS Number(s)
  • 69460-80-6
InChIKey OLLOSKHCXIYWIO-AEGPPILISA-N
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