5,7-Dihydroxy-2-[(2R,3R)-2-(4-Hydroxy-3-Methoxyphenyl)-3-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-4H-Chromen-4-One
Properties
Property | Value |
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Formula | C25H20O9 |
IUPAC Name | 5,7-dihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
Molecular Mass | 464.421 g·mol−1 |
Heat of Formation | -1187.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.21 ± 1.08 D |
Volume | 501.41 Å 3 |
Surface Area | 438.32 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -1.08 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | NMICSFNNFDNGEL-ILBGXUMGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |