5-Hydroxy-2-({(2R,3R,8S,9R,11R)-3,9,11-Trimethyl-8-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C28H34N2O7 |
IUPAC Name | methylidyne-[(4e)-2-methyl-4-[(9z)-9-methyl-8-oxo-5-[2-(2,7,10-trioxo-3-oxa-5-azoniabicyclo[4.4.0]deca-4,5,8-trien-4-yl)ethynyl]-3-oxabicyclo[8.1.0]undec-9-en-6-yn-2-ylidene]-5-oxo-cyclopenten-1-yl]ammonium |
Molecular Mass | 510.579 g·mol−1 |
Heat of Formation | 2544.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 18.51 ± 1.08 D |
Volume | 519.89 Å 3 |
Surface Area | 449.18 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -3.95 ± eV |
Point Group Symmetry | C1 |
InChIKey | WULUUVLPLGXOFP-FYZGQDOGSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |