3-Hydroxy-2-(4-Hydroxybenzoyl)-5-Methoxyphenyl 6-O-Acetyl-β-D-Glucopyranoside
Properties
Property | Value |
---|---|
Formula | C22H24O11 |
IUPAC Name | 4-[2-[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-4-methoxy-benzoyl]benzene-6-id-1-olate |
Molecular Mass | 464.419 g·mol−1 |
Heat of Formation | -1783.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.15 ± 1.08 D |
Volume | 524.14 Å 3 |
Surface Area | 394.55 Å 2 |
HOMO Energy | -9.26 ± 0.55 eV |
LUMO Energy | -0.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | NZOUTWVFWHDHBO-RECXWPGBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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