2,4-Dihydroxy-3-({3-[(1S,5S,6R,7S,8R)-7-Hydroxy-5-Methyl-9-Methylene-4-Oxotricyclo[6.2.2.0~1,6~]Dodec-2-En-5-Yl]Propanoyl}Amino)Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C24H27NO7 |
IUPAC Name | 2,4-dihydroxy-3-({3-[(1s,5s,6r,7s,8r)-7-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.0 1,6 ]dodec-2-en-5-yl]propanoyl}amino)benzoic acid |
Molecular Mass | 441.474 g·mol−1 |
Heat of Formation | -1150.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.15 ± 1.08 D |
Volume | 504.82 Å 3 |
Surface Area | 414.46 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | UPOQXKPJCTYOQZ-QHKPHWDESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |