1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
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![1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f152f3cb258e46c98b633033dcda196e.png "1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid")
1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
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CAS No:
109940-19-4
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Formula:
C20H30N4O9S2
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Chemical Name:
1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
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Synonyms:
NHS-LC-Biotin;sulfo-NHS-LC-biotin;sulfosuccinimidyl 6-(biotinamido)hexanoate;109940-19-4;DTXSID00911405;1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid;3-Pyrrolidinesulfonic acid, 1-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-1-oxohexyl)oxy)-2,5-dioxo-, (3aS-(3aalpha,4beta,6aalpha))-;N-{6-[(2,5-Dioxo-3-sulfopyrrolidin-1-yl)oxy]-6-oxohexyl}-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid
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CAS No:
1-[6-[5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Basic Attributes
534.6 g/mol
534.14542089 g/mol
Computed Properties
Molecular Weight:534.6
XLogP3:-0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:534.14542089
Monoisotopic Mass:534.14542089
Topological Polar Surface Area:222
Heavy Atom Count:35
Complexity:953
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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