(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
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(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
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CAS No:
149490-60-8
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Formula:
C13H19NO5S
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Chemical Name:
(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
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Synonyms:
N-(Butylsulfonyl)-L-tyrosine; L-N-Butylsulfonyl-p-hydroxyphenylalanine; (S)-2-(butylsulfonamido)-3-(4-hydroxyphenyl)propanoic acid;
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CAS No:
(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid Basic Attributes
301.35900
301.09839388
DTXSID90450217
2935009090
Safety Information
|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:301.36
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:301.09839388
Monoisotopic Mass:301.09839388
Topological Polar Surface Area:112
Heavy Atom Count:20
Complexity:396
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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