2-Amino-4-[(2E)-2-Buten-1-Yl]-2,4,5-Trideoxy-L-Xylonic Acid

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Properties Simple | Detailed

Formula C9H17NO3
IUPAC Name (e,2s,3r,4r)-2-amino-3-hydroxy-4-methyl-oct-6-enoic acid
Molecular Mass 187.236 g·mol−1
Heat of Formation -615.3 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 244.11 Å 3
Surface Area 229.27 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 3.87 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-((e)-2-butenyl)-4-methyl-l-threonine
  • (e)-2-butenyl-4-methyl-threonine
  • (e,2s,3r,4r)-2-amino-3-hydroxy-4-methyl-oct-6-enoic acid
  • (e,2s,3r,4r)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
  • 2(s)-amino-3(r)-hydroxy-4(r)-methyl-6(e)-octenoic acid
  • 2-amino-3-hydroxy-4-methyl-6-octenoic acid
  • 2-bmt
  • 2-butenyl-4-methyl-l-threonine
  • 2-butenyl-4-methylthreonine
  • 6-octenoic acid, 2-amino-3-hydroxy-4-methyl-, (2s-(2r*,3s*,4s*,6e))-
CAS Number(s)
  • 81135-57-1
InChIKey RPALEGQGCGCFCX-FIWMUJSFSA-N
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