(1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11R,14S)-2-Hydroxy-14-(Hydroxymethyl)-18-Methyl-13,17-Dioxo-15,16-Dithia-10,12,18-Triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]Octadeca-4,6,8-Trien-3-Yl]-14-(Hydroxymethyl)-19-Methyl-15,16,17-Trithia-10,12,19-Triazapentacyclo[12.3.2.0~1,12~.0~3,11~.0~4,9~]Nonadeca-4,6,8-Triene-13,18-Dione
Properties
| Property | Value |
|---|---|
| Formula | C30H28N6O8S5 |
| IUPAC Name | (1s,2s,3s,11r,14s)-2-hydroxy-3-[(1s,2s,3r,11r,14s)-2-hydroxy-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0 1,12 .0 3,11 .0 4,9 ]octadeca-4,6,8-trien-3-yl]-14-(hydroxymethyl)-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.0 1,12 .0 3,11 .0 4,9 ]nonadeca-4,6,8-triene-13,18-dione |
| Molecular Mass | 760.904 g·mol−1 |
| Heat of Formation | -924.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.91 ± 1.08 D |
| Volume | 754.13 Å 3 |
| Surface Area | 519.39 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -2.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VZRUFALRKCRSRR-LRESJZTJSA-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 |