1-O-(2-Propylpentanoyl)Hexopyranuronic Acid

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Properties Simple | Detailed

Formula C14H24O8
IUPAC Name (2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(2-propylpentanoyloxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 320.336 g·mol−1
Heat of Formation -1619.4 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 383.77 Å 3
Surface Area 314.13 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
InChIKey XXKSYIHWRBBHIC-NPIHSRPLSA-N
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Elements H C O