Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-1,4,5-Trihydroxycyclohexanecarboxylate
Properties
Property | Value |
---|---|
Formula | C17H20O9 |
IUPAC Name | methyl (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylate |
Molecular Mass | 368.335 g·mol−1 |
Heat of Formation | -1541.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.45 ± 1.08 D |
Volume | 408.79 Å 3 |
Surface Area | 368.12 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -0.86 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | MZNIJRAPCCELQX-AWOKGZDASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |