Formula |
C20H18O10 |
IUPAC Name |
(2r,3s)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid |
Molecular Mass |
418.351 g·mol−1 |
Heat of Formation |
-1583.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.69 ± 1.08 D |
Volume |
456.06 Å 3 |
Surface Area |
393.67 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r,3s)-3-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
- (2r,3s)-3-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-2-hydroxy-2-(4-hydroxybenzyl)succinic acid
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InChIKey |
MTGTYFYLZVUKQG-ZUVWSUMTSA-N |
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Links |
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Elements |
H
C
O
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