(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,3s)-3-[2-[(2r)-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 -633.8 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 381.38 Å 3
Surface Area 337.63 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-[(2s,3s)-3-[2-[(2r)-3,3-dimethyl-2-oxiranyl]ethyl]-3-methyl-2-oxiranyl]-3-methylpent-2-enoic acid methyl ester
  • (e)-5-[(2s,3s)-3-[2-[(2r)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enoic acid methyl ester
  • methyl (e)-5-[(2s,3s)-3-[2-[(2r)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enoate
  • methyl (e)-5-[(2s,3s)-3-[2-[(2r)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enoate
InChIKey ZKZPJBPCLACUKB-ORLMQAGASA-N
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