Formula |
C20H20N2O8 |
IUPAC Name |
(2s)-3-[3-[5-[(2s)-2-carboxy-2-formamido-ethyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]-2-formamido-propanoic acid |
Molecular Mass |
416.381 g·mol−1 |
Heat of Formation |
-1291.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.38 ± 1.08 D |
Volume |
488.76 Å 3 |
Surface Area |
385.39 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
-0.10 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-formamido-3-[3-[5-[(2s)-2-formamido-3-hydroxy-3-keto-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]propionic acid
- (2s)-2-formamido-3-[3-[5-[(2s)-2-formamido-3-hydroxy-3-oxo-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]propanoic acid
- (2s)-2-formamido-3-[3-[5-[(2s)-2-formamido-3-hydroxy-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid
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InChIKey |
OUNKRBSXIMLJRR-HOTGVXAUSA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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