2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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![2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/adcf2f3a2eb24aef9e4f133518faae0a.png "2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol")
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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CAS No:
37627-62-6
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Formula:
C25H39NO8
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Chemical Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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Synonyms:
37627-62-6;3-(3-Isobutyl-1-isopentyl-3-pyrrolidinyl)phenol citrate;Pyrrolidine, 3-(m-hydroxyphenyl)-3-isobutyl-1-isopentyl-, citrate;Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate;DTXSID60958674;3-(3-Isobutyl-1-isopentylpyrrolidin-3-yl)phenol 2-hydroxypropane-1,2,3-tricarboxylate;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol (1/1)
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CAS No:
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol Basic Attributes
481.6 g/mol
481.26756720 g/mol
Computed Properties
Molecular Weight:481.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:481.26756720
Monoisotopic Mass:481.26756720
Topological Polar Surface Area:156
Heavy Atom Count:34
Complexity:542
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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