4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid
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![4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f12ee06a939841c79a1ef17fc197ab64.png "4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid")
4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid
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CAS No:
45309-96-4
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Formula:
C25H45NO8S
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Chemical Name:
4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid
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Synonyms:
SCHEMBL12971520;DTXSID70892050;4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid;45309-96-4
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CAS No:
4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid Basic Attributes
519.7 g/mol
519.28658857 g/mol
Computed Properties
Molecular Weight:519.7
XLogP3:5.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:23
Exact Mass:519.28658857
Monoisotopic Mass:519.28658857
Topological Polar Surface Area:155
Heavy Atom Count:35
Complexity:730
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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