[(1R,2R,4R,5S,6R,7S)-5,6-Diacetoxy-3,8-Dioxatricyclo[5.1.0.0~2,4~]Oct-4-Yl]Methyl Benzoate

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Properties Simple | Detailed

Formula C18H18O8
IUPAC Name [(1r,2r,4r,5s,6r,7s)-5,6-diacetoxy-3,8-dioxatricyclo[5.1.0.0 2,4 ]oct-4-yl]methyl benzoate
Molecular Mass 362.331 g·mol−1
Heat of Formation -1069.0 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 401.87 Å 3
Surface Area 323.32 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3,8-dioxatricyclo[5.1.0.0(2,4)]octane-5,6-diol, 4-(hydroxymethyl)-, 5,6-diacetate 4-benzoate
  • 4-((benzoyloxy)methyl)3,8-dioxatricyclo(5.1.0.0)-octane-5,6-diol diacetate
CAS Number(s)
  • 20421-13-0
InChIKey ASAWUXMEXFAFMU-DBDULZNHSA-N
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