(1R,4As,5S,6S,8Ar)-5-{[(5S)-1-(3-O-Acetyl-4-O-Carbamoyl-6-Deoxy-2-O-Methyl-α-L-Talopyranosyl)-4-Hydroxy-5-Isopropyl-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]Carbonyl}-6-Methyl-4-Methylene-1,2,3,4,4A,5,6,8 A-Octahydro-1-Naphthalenyl 2,6-Dideoxy-3-C-[(1S)-1-{[(3,4-Dichloro-5-Methyl-1H-Pyrrol-2-Yl)Carbonyl]Amino}Ethyl]-Beta-D-Ribo-Hexopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C44H60Cl2N4O14 |
| IUPAC Name | [(2r,3r,4r,5r,6s)-2-[(2s)-4-[(1s,2s,4ar,5r,8as)-5-[(2r,4r,5r,6r)-4-[(1s)-1-[(3,4-dichloro-5-methyl-pyrrol-1-ium-2-ylium-2-carbonyl)amino]ethyl]-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-8-methylene-2,4a,5,6,7,8a-hexahydro-1h-naphthalene-1-carbonyl]-3-hydroxy-2-isopropyl-5-oxo-2h-pyrrol-1-yl]-5-carbamoyloxy-3-methoxy-6-methyl-tetrahydropyran-4-yl] acetate |
| Molecular Mass | 939.872 g·mol−1 |
| Heat of Formation | -2549.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.80 ± 1.08 D |
| Volume | 1075.48 Å 3 |
| Surface Area | 803.06 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QOFXLOGWNULKEG-FHIRBROQSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |