Formula |
C9H11NO4S |
IUPAC Name |
(2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanyl-propanoic acid |
Molecular Mass |
229.253 g·mol−1 |
Heat of Formation |
-624.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.89 ± 1.08 D |
Volume |
256.63 Å 3 |
Surface Area |
243.37 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
2.34 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanyl-propanoic acid
- (2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanylpropanoic acid
- (2r)-2-amino-3-[(3,4-dihydroxyphenyl)thio]propanoic acid
- (2r)-2-amino-3-[(3,4-dihydroxyphenyl)thio]propionic acid
- 4-s-cysteinylcatechol
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CAS Number(s) |
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InChIKey |
AITAKZZIENHLPJ-LURJTMIESA-N |
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Links |
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DOI |
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Elements |
H
S
C
O
N
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