3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
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![3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ebf804c8ebc9450793d5f7317b9a7420.png "3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid")
3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
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CAS No:
25901-46-6
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Formula:
C28H28I6N4O8
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Chemical Name:
3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
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Synonyms:
3,3'-(Adipoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodobenzoic acid); BENZOIC ACID,3,3'-(ADIPOYLDIIMINO)BIS(5-(PROPIONAMIDOMETHYL)-2,4,6-TRIIODO;
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CAS No:
3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Basic Attributes
1309.97000
1309.6175 g/mol
DTXSID70180565
Computed Properties
Molecular Weight:1310.0
XLogP3:4.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:1309.6175
Monoisotopic Mass:1309.6175
Topological Polar Surface Area:191
Heavy Atom Count:46
Complexity:1040
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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