(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c8a87241e3b04e77926efec203533ef7.png "(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
38099-65-9
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Formula:
C16H21Cl2NO7
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
4-(bis(2-chloroethyl)amino)phenyl beta-D-glucopyranosiduronic acid;4-(N,N-bis(2-chloroethyl)amino)phenyl O-beta-D-glucopyranosiduronic acid;aniline mustard glucuronic acid conjugate;p-(di-2-chloroethylamino)phenyl-beta-D-glucopyranosiduronic acid;Aniline mustard glucuronide;38099-65-9;DTXSID40959048;p-Hydroxyaniline mustard glucuronide;4-(Bis(2-chloroethyl)amino)phenyl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 4-(bis(2-chloroethyl)amino)phenyl-;4-(N,N-Bis(2-chloroethyl)amino)phenyl O-beta-D-glucopyranosiduronic acid;Aniline mustard glucuronic acid conjugate;(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;4-[Bis(2-chloroethyl)amino]phenyl hexopyranosiduronic acid;P-(di-2-chloroethylamino)phenyl-beta-D-glucopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
410.2 g/mol
409.0695074 g/mol
Computed Properties
Molecular Weight:410.2
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:409.0695074
Monoisotopic Mass:409.0695074
Topological Polar Surface Area:120
Heavy Atom Count:26
Complexity:444
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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