(1R,3S,5S,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-Amino-3,6-Dideoxy-β-D-Mannopyranosyl)Oxy]-1,3,26-Trihydroxy-12-Methyl-10-Oxo-6,11,28-Trioxatricyclo[22.3.1.0~5,7~]Octacosa-8,14,16,18,20-Pentaene-25-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H47NO13 |
| IUPAC Name | (1r,3s,5r,7r,8z,12r,14e,16z,18e,20e,22r,24s,25r,26s)-22-[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid |
| Molecular Mass | 665.725 g·mol−1 |
| Heat of Formation | -2185.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.16 ± 1.08 D |
| Volume | 804.16 Å 3 |
| Surface Area | 598.05 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NCXMLFZGDNKEPB-KOAMXYLSSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |