1-Allyl-1,5-Anhydro-2,3,4,6-Tetra-O-Benzoylhexitol

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Properties Simple | Detailed

Formula C37H32O9
IUPAC Name [(2r,3r,4r,5s,6r)-6-allyl-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate
Molecular Mass 620.645 g·mol−1
Heat of Formation 4804.8 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 639.86 Å 3
Surface Area 533.01 Å 2
HOMO Energy -7.10 ± 0.55 eV
LUMO Energy -5.39 ± eV
Point Group Symmetry C1
InChIKey FYLASGCMQNMGIZ-RGPGAZMKSA-N
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Elements C O