(5S,5Ar,8Ar,9R)-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-8-Oxo-5,5A,6,8,8A,9-Hexahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-5-Yl 4,6-O-(2-Thienylmethylene)-β-D-Glucopyranoside
Properties
Property | Value |
---|---|
Formula | C32H32O13S |
IUPAC Name | (5s,5as,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-8-one |
Molecular Mass | 656.654 g·mol−1 |
Heat of Formation | -1796.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.14 ± 1.08 D |
Volume | 723.17 Å 3 |
Surface Area | 542.56 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | -0.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | NRUKOCRGYNPUPR-ITFSIKCPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |