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)-1-Hydroxy-3-Oxo-2-Propanyl 3,4,5-Trihydroxybenzoate
Properties
Property | Value |
---|---|
Formula | C27H22O18 |
IUPAC Name | [(1s,2s)-1-formyl-2-[(10s,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2-hydroxy-ethyl] 3,4,5-trihydroxybenzoate |
Molecular Mass | 634.453 g·mol−1 |
Heat of Formation | -2845.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.52 ± 1.08 D |
Volume | 642.29 Å 3 |
Surface Area | 469.25 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | -1.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | KIWFFZKABNOAQU-JISOWQDMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |