(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f416cd11f11c4fb5888188bdcd08c9d5.png "(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
structure -
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CAS No:
102411-06-3
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Formula:
C19H20Cl2N2O6
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Chemical Name:
(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
Mboca-glucuronide; 4,4'-Methylenebis(2-chloroaniline)-N-glucuronide;
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CAS No:
(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
443.27800
442.0698418 g/mol
DTXSID30145059
Computed Properties
Molecular Weight:443.3
XLogP3:2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:442.0698418
Monoisotopic Mass:442.0698418
Topological Polar Surface Area:145
Heavy Atom Count:29
Complexity:573
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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