[(3R,5S,7R,8R)-7-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-Acetoxy-2-Pentenoyl]Amino}-3,6-Dimethyltetrahydro-2H-Pyran-2-Yl]-3-Methyl-1,3-Pentadien-1-Yl}-8-Hydroxy-1,6-Dioxaspiro[2.5]Oct-5-Yl]Acetic Acid
Properties
Property | Value |
---|---|
Formula | C28H41NO9 |
IUPAC Name | 2-[(3r,4r,5r,7s)-5-[(1e,3e)-5-[(2s,3s,5r,6r)-5-[[(z,4s)-4-acetoxypent-2-enoyl]amino]-3,6-dimethyl-tetrahydropyran-2-yl]-3-methyl-penta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid |
Molecular Mass | 535.626 g·mol−1 |
Heat of Formation | -1581.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.08 ± 1.08 D |
Volume | 664.14 Å 3 |
Surface Area | 529.43 Å 2 |
HOMO Energy | -9.10 ± 0.55 eV |
LUMO Energy | 3.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | GJKQDOMCDFJANR-FUDLAKRJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |