1-[(3S,4R,5S)-4,5-Dimethyl-2-Oxotetrahydro-3-Furanyl]-5-(Hydroxymethyl)-1H-Pyrrole-2-Carbaldehyde

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Properties Simple | Detailed

Formula C12H15NO4
IUPAC Name 1-[(3s,4r,5s)-4,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]-5-(hydroxymethyl)pyrrol-1-ium-5-ylium-2-carbaldehyde
Molecular Mass 237.252 g·mol−1
Heat of Formation -571.7 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 280.83 Å 3
Surface Area 242.96 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s-(3alpha,4beta,5alpha))-5-(hydroxymethyl)-1-(tetrahydro-4,5-dimethyl-2-oxo-3-furanyl)-1h-pyrrole-2-carboxaldehyde
  • 1-[(3s,4r,5s)-2-keto-4,5-dimethyl-tetrahydrofuran-3-yl]-5-methylol-pyrrole-2-carbaldehyde
  • 1-[(3s,4r,5s)-4,5-dimethyl-2-oxo-3-tetrahydrofuranyl]-5-(hydroxymethyl)-2-pyrrolecarboxaldehyde
  • 1-[(3s,4r,5s)-4,5-dimethyl-2-oxo-oxolan-3-yl]-5-(hydroxymethyl)pyrrole-2-carbaldehyde
  • 1-[(3s,4r,5s)-4,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]-5-(hydroxymethyl)pyrrole-2-carbaldehyde
  • 1-[(3s,4r,5s)-4,5-dimethyl-2-oxooxolan-3-yl]-5-(hydroxymethyl)pyrrole-2-carbaldehyde
  • 1h-pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(tetrahydro-4,5-dimethyl-2-oxo-3-furanyl)-, (3s-(3alpha,4beta,5alpha))-
  • funebral
CAS Number(s)
  • 105708-56-3
InChIKey SBDVNGVBUIUJOY-LAEOZQHASA-N
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