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

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Properties Simple | Detailed

Formula C13H22O8
IUPAC Name methyl 2-[[(2s,3r,4r,5s)-3-acetoxy-4,5-dimethoxy-tetrahydropyran-2-yl]methoxy]acetate
Molecular Mass 306.309 g·mol−1
Heat of Formation -1397.6 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 364.02 Å 3
Surface Area 316.33 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
InChIKey JNQZWDRCIIILNU-YRRQLQLVSA-N
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Elements H C O