(5R)-3-[2,5-Bis(Hydroxymethyl)-1H-Pyrrol-1-Yl]-4,5-Dimethyl-2(5H)-Furanone

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Properties Simple | Detailed

Formula C12H15NO4
IUPAC Name (2r)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2h-furan-5-one
Molecular Mass 237.252 g·mol−1
Heat of Formation -570.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 284.68 Å 3
Surface Area 245.47 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-3-(2,5-dimethylolpyrrol-1-yl)-4,5-dimethyl-5h-furan-2-one
  • (5r)-3-[2,5-bis(hydroxymethyl)-1-pyrrolyl]-4,5-dimethyl-5h-furan-2-one
  • 2(5h)-furanone, 3-(2,5-bis(hydroxymethyl)-1h-pyrrol-1-yl)-4,5-dimethyl-, (r)-
  • funebradiol
CAS Number(s)
  • 133086-87-0
InChIKey GQPHVVDGJWHSMR-MRVPVSSYSA-N
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