(6S)-1,2:5,6-Dianhydro-3,4-Dideoxy-6-[(3E)-5-Methoxy-3-Methyl-5-Oxo-3-Penten-1-Yl]-1,1,5-Trimethyl-D-Erythro-Hexitol

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Properties Simple | Detailed

Formula C16H26O4
IUPAC Name methyl (e)-5-[(2s,3r)-3-[2-[(2s)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enoate
Molecular Mass 282.375 g·mol−1
Heat of Formation -632.8 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 377.94 Å 3
Surface Area 342.19 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey ZKZPJBPCLACUKB-HRSWADRZSA-N
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Elements H C O