DL-Cysteic acid
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DL-Cysteic acid
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CAS No:
13100-82-8
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Formula:
C3H7NO5S
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Chemical Name:
DL-Cysteic acid
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Synonyms:
Alanine,3-sulfo-;3-Sulfoalanine;Cysteic acid;Cysteate;2-Amino-3-sulfopropionic acid;DL-Cysteic acid;2-Amino-3-sulfopropanoic acid;3024-83-7
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CAS No:
Description
ChEBI: An amino sulfonic acid that is the sulfonic acid analogue of cysteine.
Solid
Cysteic acid is an amino sulfonic acid that is the sulfonic acid analogue of cysteine. It has a role as an animal metabolite. It is an alanine derivative, an amino sulfonic acid, a carboxyalkanesulfonic acid, a cysteine derivative and a non-proteinogenic alpha-amino acid.|Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.
Characteristics
126
0.06720
1.433 (estimate)
1.5130 (estimate)
140.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|123 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.4 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
IRRITANT
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:169.16
XLogP3:-4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:169.00449350
Monoisotopic Mass:169.00449350
Topological Polar Surface Area:126
Heavy Atom Count:10
Complexity:214
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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