1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-Dioxo-5,8,9,11-Tetrahydro-7H-Dibenzo[G,I][1,5]Dioxacycloundecin-7-Yl)-2-Hydroxy-3-Oxopropyl 3,4,5-Trihydroxybenzoate

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Formula C27H22O18
IUPAC Name 1-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7h-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2-hydroxy-3-oxopropyl 3,4,5-trihydroxybenzoate
Molecular Mass 634.453 g·mol−1
Heat of Formation -2823.0 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 649.46 Å 3
Surface Area 502.36 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey XKVYZLLWKHGKMT-UPMOLNEASA-N
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