(1R,3S,5E,7E,11R,13E,15E,17E,19E,21R,23S,24R,25S)-21-[(3-Amino-3,6-Dideoxy-β-D-Mannopyranosyl)Oxy]-1,3,25-Trihydroxy-11-Methyl-9-Oxo-10,27-Dioxabicyclo[21.3.1]Heptacosa-5,7,13,15,17,19-Hexaene-24-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H47NO12 |
| IUPAC Name | (1s,3r,4e,6e,8e,10e,13r,16e,18e,21s,23r,25s,26r)-3-[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-21,23,25-trihydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16,18-hexaene-26-carboxylic acid |
| Molecular Mass | 649.726 g·mol−1 |
| Heat of Formation | -2100.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.12 ± 1.08 D |
| Volume | 790.04 Å 3 |
| Surface Area | 590.32 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SQKHCBHOKICFHY-FNNGFRNWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |