2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid
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![2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7d71f89b01394fa3b4141269f6e72867.png "2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid")
2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid
structure -
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CAS No:
152726-69-7
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Formula:
C33H57NO15
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Chemical Name:
2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid
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Synonyms:
152726-69-7;DTXSID50934588;2,2'-{(19-Amino-12,17,18-trihydroxy-6,10-dimethylnonadecane-7,8-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
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CAS No:
2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid Basic Attributes
707.8 g/mol
707.37282011 g/mol
Computed Properties
Molecular Weight:707.8
XLogP3:-0.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:31
Exact Mass:707.37282011
Monoisotopic Mass:707.37282011
Topological Polar Surface Area:289
Heavy Atom Count:49
Complexity:1040
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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