Methyl (4As,7R,7As)-1-(β-D-Allopyranosyloxy)-7-Hydroxy-7-(Hydroxymethyl)-1,4A,7,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate
Properties
Property | Value |
---|---|
Formula | C17H24O11 |
IUPAC Name | methyl (1s,4ar,7s,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[c]pyran-4-carboxylate |
Molecular Mass | 404.366 g·mol−1 |
Heat of Formation | -1887.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.82 ± 1.08 D |
Volume | 440.0 Å 3 |
Surface Area | 366.26 Å 2 |
HOMO Energy | -10.19 ± 0.55 eV |
LUMO Energy | -0.53 ± eV |
Point Group Symmetry | C1 |
InChIKey | XJMPAUZQVRGFRE-GDHAGNFOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |