(3S,5S,8R,9S,14R)-8-Hydroxy-14-(2-Hydroxy-3,4-Dimethoxyphenyl)-18-Methyl-4,10-Dioxa-15,16-Dithia-11,18-Diazapentacyclo[11.3.2.0~1,11~.0~3,5~.0~3,9~]Octadec-6-Ene-12,17-Dione
Properties
Property | Value |
---|---|
Formula | C21H22N2O8S2 |
IUPAC Name | (3s,5s,8r,9s,14r)-8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0 1,11 .0 3,5 .0 3,9 ]octadec-6-ene-12,17-dione |
Molecular Mass | 494.538 g·mol−1 |
Heat of Formation | -799.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.08 ± 1.08 D |
Volume | 517.56 Å 3 |
Surface Area | 410.02 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 1.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | XOFUALCAHMHEHU-KWOIXVLLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |