(2S,3E)-2-Amino-4-[(2R)-2-Amino-3-Hydroxypropoxy]-3-Butenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C7H14N2O4
IUPAC Name (e,2s)-2-amino-4-[(2r)-2-amino-3-hydroxy-propoxy]but-3-enoic acid
Molecular Mass 190.197 g·mol−1
Heat of Formation -666.2 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 233.2 Å 3
Surface Area 232.74 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (e,2s)-2-amino-4-[(2r)-2-amino-3-hydroxy-propoxy]but-3-enoic acid
  • (e,2s)-2-amino-4-[(2r)-2-amino-3-hydroxypropoxy]but-3-enoic acid
  • 3-butenoic acid, 2-amino-4-(2-amino-3-hydroxypropoxy)-, (s-(r*,s*-(e)))-
  • rhizobitoxine
CAS Number(s)
  • 37209-51-1
  • 37658-95-0
InChIKey SLUXPOIDTZWGCG-GONBATFASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N