3-Pentanyl 2-Acetamido-2,4-Dideoxy-α-L-Threo-Hex-4-Enopyranosiduronic Acid

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Properties Simple | Detailed

Formula C13H21NO6
IUPAC Name (2r,3r,4s)-3-acetamido-2-(1-ethylpropoxy)-4-hydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 287.309 g·mol−1
Heat of Formation -1150.5 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 342.38 Å 3
Surface Area 295.07 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-6-(1-ethylpropoxy)-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
InChIKey UUULUCUBSUJBNQ-UFGOTCBOSA-N
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