Formula |
C8H16N2O4S |
IUPAC Name |
(2s)-2-[[(2s)-2-amino-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoic acid |
Molecular Mass |
236.289 g·mol−1 |
Heat of Formation |
-791.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.42 ± 1.08 D |
Volume |
279.84 Å 3 |
Surface Area |
258.03 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-0.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-ammonio-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)butanoate
- (2s)-2-[[(2s)-2-ammonio-3-hydroxy-propanoyl]amino]-4-(methylthio)butyrate
- (2s)-2-[[(2s)-2-azaniumyl-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoate
- (2s)-2-[[(2s)-2-azaniumyl-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoate
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CAS Number(s) |
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InChIKey |
PBUXMVYWOSKHMF-WDSKDSINSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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