(3S,4Ar,9S,10As,13S,21R,22Ar,25S)-3-Chloro-9,21-Dihydroxy-13-(Hydroxymethyl)-13-Methyl-25-[(2E,4E)-6-Methyl-2,4-Heptadien-1-Yl]Hexadecahydro-7H,19H-Tripyridazino[1,6-D:1',6'-J:1'',6''-M][1,4,7,10,13,16]Oxapentaazacyclooctadecine-5,11,14,17,23,26(1H,16H)-Hexone
Properties
| Property | Value |
|---|---|
| Formula | C31H47ClN8O10 |
| IUPAC Name | (3s,4ar,9s,10as,13s,21r,22ar,25s)-3-chloro-9,21-dihydroxy-13-(hydroxymethyl)-13-methyl-25-[(2e,4e)-6-methyl-2,4-heptadien-1-yl]hexadecahydro-7h,19h-tripyridazino[1,6-d:1',6'-j:1'',6''-m][1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1h,16h)-hexone |
| Molecular Mass | 727.205 g·mol−1 |
| Heat of Formation | -1513.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.91 ± 1.08 D |
| Volume | 838.48 Å 3 |
| Surface Area | 627.48 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | 0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OHBCWVJHZZYAHJ-QODGRZNGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |