(4As,7S,7As)-7-Methyl-1-{[(2S,3R,4R,6R)-3,4,5,5,6-Pentahydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-7-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C17H26O11 |
IUPAC Name | [(1s,4as,7s,7as)-7-methyl-1-[(2s,3r,4r,6r)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-7-yl] acetate |
Molecular Mass | 406.382 g·mol−1 |
Heat of Formation | -2086.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.15 ± 1.08 D |
Volume | 441.77 Å 3 |
Surface Area | 337.01 Å 2 |
HOMO Energy | -9.57 ± 0.55 eV |
LUMO Energy | 0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | NJJKLOCFAWWZNT-YNTRKKHNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |