(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-Amino-3,6-Dideoxy-α-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,14z,16e,18e,20e,22r,24s,25r,26s)-22-[(2s,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 | -2198.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.04 ± 1.08 D |
Volume | 795.13 Å 3 |
Surface Area | 561.86 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | -0.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | NCXMLFZGDNKEPB-JFKWLZDRSA-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 |