(3R,4R,14R,19S)-22-Chloro-4-{[(2S,3R,4R,5S)-5-(Dimethylamino)-3,4-Dihydroxy-6,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}-23-Hydroxy-14-{[(7-Methoxy-2-Methylene-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-5-Yl)Carbonyl]Oxy}-17-Oxo-2,16-Dioxapentacyclo[18.2.2.1~9,13~.0~3,10~.0~4,8~]Pentacosa-1(22),5,7,9(25),10,12,20,23-Octaen-19-Aminium
Properties
| Property | Value |
|---|---|
| Formula | C43H45ClN3O13+ |
| IUPAC Name | (3r,4r,14r,19s)-22-chloro-4-{[(2s,3r,4r,5s)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-23-hydroxy-14-{[(7-methoxy-2-methylene-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-5-yl)ca rbonyl]oxy}-17-oxo-2,16-dioxapentacyclo[18.2.2.1 9,13 .0 3,10 .0 4,8 ]pentacosa-1(22),5,7,9(25),10,12,20,23-octaen-19-aminium |
| Molecular Mass | 847.283 g·mol−1 |
| Heat of Formation | 3999.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.49 ± 1.08 D |
| Volume | 825.28 Å 3 |
| Surface Area | 646.02 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | -2.82 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | SAWXMTQYIIZWNU-RGEBLUSTSA-O |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C N O Cl |