3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
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![3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ca89d3241b434600af0174000ae59cac.png "3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid")
3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
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CAS No:
71659-79-5
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Formula:
C28H31N3O18S3
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Chemical Name:
3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
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Synonyms:
1,5-N,N',N''-tris(sulfanato-2,3-dihydroxybenzoyl)-1,5,10-triazadecane;3,4-LICAMS;LICAM(S);N,N',N''-tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane;N,N',N''-tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane, trisodium salt;71659-79-5;N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane;Licam(S);3,4-Licams;CHEMBL3306615;DTXSID20221896;1,5-N,N',N''-Tris(sulfanato-2,3-dihydroxybenzoyl)-1,5,10-triazadecane;3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid;N,N',N''-tris(5-sulfo-2,3-dihydroxybenzoyl)-1,5,10-triazadecane;Benzenesulfonic acid, 3-(((4-((2,3-dihydroxy-5-sulfobenzoyl)amino)butyl)(3-((2,3-dihydroxy-5-sulfobenzoyl)amino)propyl)amino)carbonyl)-4,5-dihydroxy-
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CAS No:
3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid Basic Attributes
793.8 g/mol
793.07647467 g/mol
DTXSID20221896
Computed Properties
Molecular Weight:793.8
XLogP3:0.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:15
Exact Mass:793.07647467
Monoisotopic Mass:793.07647467
Topological Polar Surface Area:388
Heavy Atom Count:52
Complexity:1580
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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