3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid
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![3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4b04048b3b8d41d2a2df8479ee718e5f.png "3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid")
3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid
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CAS No:
6308-50-5
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Formula:
C21H17NO12S
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Chemical Name:
3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid
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Synonyms:
6308-50-5;NSC42068;3,4-dihydroxy-5-[(3,4,5-trihydroxy-2-{[(4-sulfophenyl)amino]methyl}benzoyl)oxy]benzoic acid;DTXSID50285502;ZINC4522862;NSC-42068;A836617;3,4-bis(oxidanyl)-5-[3,4,5-tris(oxidanyl)-2-[[(4-sulfophenyl)amino]methyl]phenyl]carbonyloxy-benzoic acid;3,4-dihydroxy-5-[oxo-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]phenyl]methoxy]benzoic acid
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CAS No:
3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[(4-sulfoanilino)methyl]benzoyl]oxybenzoic acid Basic Attributes
507.4 g/mol
507.04714615 g/mol
42068
DTXSID50285502
Computed Properties
Molecular Weight:507.4
XLogP3:1.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:507.04714615
Monoisotopic Mass:507.04714615
Topological Polar Surface Area:240
Heavy Atom Count:35
Complexity:855
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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