(1S,5R)-1,5-Anhydro-1-(Carboxymethyl)-3-C-(Chloromethyl)-2-Deoxy-5-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(Isobutyryloxy)-2-Pentenoyl]Amino}-3,6-Dimethyltetrahydro-2H-Pyran-2-Yl]-3-Methyl-1,3-Pentadien-1-Yl}-D-Erythro-Pentitol
Properties
| Property | Value |
|---|---|
| Formula | C30H46ClNO9 |
| IUPAC Name | 2-[(2s,4s,5r,6r)-4-(chloromethyl)-6-[(1e,3e)-5-[(2s,3s,5r,6r)-3,6-dimethyl-5-[[(z,4s)-4-(2-methylpropanoyloxy)pent-2-enoyl]amino]tetrahydropyran-2-yl]-3-methyl-penta-1,3-dienyl]-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid |
| Molecular Mass | 600.141 g·mol−1 |
| Heat of Formation | -1837.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.50 ± 1.08 D |
| Volume | 747.32 Å 3 |
| Surface Area | 590.33 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | 0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IUEAQIHFZAHMMU-WEDQMBCXSA-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 |