3-O-Acetyl-2,6-Anhydro-4,5-Bis-O-(2-Methoxy-2-Oxoethyl)-1-O-Methylhexitol

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Properties Simple | Detailed

Formula C15H24O10
IUPAC Name methyl 2-[(3s,4r,5r,6s)-5-acetoxy-6-(methoxymethyl)-4-(2-methoxy-2-oxo-ethoxy)tetrahydropyran-3-yl]oxyacetate
Molecular Mass 364.345 g·mol−1
Heat of Formation -1774.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 418.96 Å 3
Surface Area 344.87 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 3.92 ± eV
Point Group Symmetry C1
InChIKey YFLZCQUNBOUPIK-UOVKNHIHSA-N
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Elements H C O