6-[2-Formyl-5-(Hydroxymethyl)-1H-Pyrrol-1-Yl]-L-Norleucine

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Properties Simple | Detailed

Formula C12H18N2O4
IUPAC Name (2s)-2-amino-6-[2-formyl-5-(hydroxymethyl)pyrrol-1-ium-5-ylium-1-yl]hexanoic acid
Molecular Mass 254.282 g·mol−1
Heat of Formation -644.0 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 315.96 Å 3
Surface Area 291.88 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-(2-formyl-5-methylol-pyrrol-1-yl)hexanoic acid
  • (2s)-2-amino-6-[2-(hydroxymethyl)-5-methanoyl-pyrrol-1-yl]hexanoic acid
  • (2s)-2-amino-6-[2-formyl-5-(hydroxymethyl)-1-pyrrolyl]hexanoic acid
  • (2s)-2-amino-6-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]hexanoic acid
  • 1h-pyrrole-1-hexanoic acid, alpha-amino-2-formyl-5-(hydroxymethyl)-, (s)-
  • 2-amino-6-(2-formyl-5-hydroxymethylpyrrol-1-yl)hexanoic acid
  • 2-fhmpn
  • 2-formyl-5-(hydroxymethyl)pyrrole-1-norleucine
  • pyrraline
CAS Number(s)
  • 74509-14-1
InChIKey VTYFITADLSVOAS-NSHDSACASA-N
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