3-O-Acetyl-1,5-Anhydro-2-Butyl-2,4-Dideoxy-4-Methylpentitol

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Properties Simple | Detailed

Formula C12H22O3
IUPAC Name [(3r,4r,5r)-3-butyl-5-methyl-tetrahydropyran-4-yl] acetate
Molecular Mass 214.301 g·mol−1
Heat of Formation -721.7 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 289.99 Å 3
Surface Area 260.26 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
InChIKey XWNKVSFNBVIKJB-YUSALJHKSA-N
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Elements H C O