Formula |
C18H20N2O5 |
IUPAC Name |
(2s)-2-[[(2s)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate |
Molecular Mass |
344.362 g·mol−1 |
Heat of Formation |
-797.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.96 ± 1.08 D |
Volume |
414.06 Å 3 |
Surface Area |
325.7 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
-0.26 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoate
- (2s)-2-[[(2s)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propionate
- (2s)-2-[[(2s)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
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CAS Number(s) |
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InChIKey |
JAQGKXUEKGKTKX-HOTGVXAUSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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