Ethyl 2-Methyl-5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-Pyrrole-3-Carboxylate

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Properties Simple | Detailed

Formula C12H19NO6
IUPAC Name ethyl 2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-pyrrole-3-carboxylate
Molecular Mass 273.282 g·mol−1
Heat of Formation -1113.4 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 320.21 Å 3
Surface Area 298.23 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-carboxylic acid, 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)-, ethyl ester, (1r-(1r*,2s*,3r*))-
  • 2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-pyrrole-3-carboxylic acid ethyl ester
  • ethyl-2-methyl-5-(d-arabinotetrahydroxybutyl)-3-pyrrole carboxylate
  • glucosamine acetoacetate condensate
  • pyrrole condensate
InChIKey IRUIHWPMMWDMGN-GMTAPVOTSA-N
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