4-O-(3-Carboxypropanoyl)-2,6-Dideoxy-3-O-Methyl-L-Lyxo-Hexose

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Properties Simple | Detailed

Formula C11H18O7
IUPAC Name 4-[(1r,2s)-1-[(1s)-1-hydroxyethyl]-2-methoxy-4-oxo-butoxy]-4-oxo-butanoic acid
Molecular Mass 262.256 g·mol−1
Heat of Formation -1349.7 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 318.19 Å 3
Surface Area 280.13 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2s)-1-(1-hydroxyethyl)-2-methoxy-4-oxo-butoxy]-4-oxo-butanoic acid
  • 4-[(1r,2s)-1-(1-hydroxyethyl)-2-methoxy-4-oxobutoxy]-4-oxobutanoic acid
  • 4-[(1r,2s)-1-(1-hydroxyethyl)-4-keto-2-methoxy-butoxy]-4-keto-butyric acid
  • 4-[(2s,3r,4s)-2-hydroxy-4-methoxy-6-oxo-hexan-3-yl]oxy-4-oxo-butanoic acid
  • 4-[(2s,3r,4s)-2-hydroxy-4-methoxy-6-oxohexan-3-yl]oxy-4-oxobutanoic acid
  • 4-o-succinyl diginose
  • 4-o-succinyl-l-diginose
  • l-lyxo-hexose, 2,6-dideoxy-3-o-methyl-, 4-(hydrogen butanedioate)
CAS Number(s)
  • 86402-44-0
InChIKey HHRYJTQDOJCUMQ-DKCNOQQISA-N
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Elements H C O