2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid
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![2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f9b3d65dffc84686ad58e44a34cc703e.png "2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid")
2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid
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CAS No:
126513-90-4
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Formula:
C36H71NO10S
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Chemical Name:
2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid
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Synonyms:
2-(3-acyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)aminoethanesulfonic acid;taurolipid C;Taurolipid C;126513-90-4;DTXSID90925576;2-(3-Acyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)aminoethanesulfonic acid;3-(Hexadecanoyloxy)-2,7,12,13-tetrahydroxy-N-(2-sulfoethyl)octadecanimidic acid;Hexadecanoic acid, 1-(1-hydroxy-2-oxo-2-((2-sulfoethyl)amino)ethyl)-5,10,11-trihydroxyhexadecyl ester
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CAS No:
2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid Basic Attributes
710.0 g/mol
709.47986864 g/mol
Computed Properties
Molecular Weight:710.0
XLogP3:8.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:35
Exact Mass:709.47986864
Monoisotopic Mass:709.47986864
Topological Polar Surface Area:199
Heavy Atom Count:48
Complexity:883
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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