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

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Properties Simple | Detailed

Formula C11H21NO3
IUPAC Name (e,2s,3r,4r)-2-(dimethylamino)-3-hydroxy-4-methyl-oct-6-enoic acid
Molecular Mass 215.289 g·mol−1
Heat of Formation -623.1 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 289.44 Å 3
Surface Area 259.84 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (e,2s,3r,4r)-2-dimethylamino-3-hydroxy-4-methyl-oct-6-enoic acid
  • (e,2s,3r,4r)-2-dimethylamino-3-hydroxy-4-methyloct-6-enoic acid
  • 4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
InChIKey COYQGLCTWTYPNM-RNWMEYJFSA-N
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