(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
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![(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6934d94ef23b465f96bd12dff2189f48.png "(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide")
(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
structure -
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CAS No:
121135-00-0
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Formula:
C21H23Br4N3O5
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Chemical Name:
(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
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Synonyms:
121135-00-0;araplysillin 1;Hexadellin A;CHEMBL518416;SCHEMBL8269306;DTXSID10923695;1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5R-trans)-;N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
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CAS No:
(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide Basic Attributes
717.0 g/mol
716.83302 g/mol
Computed Properties
Molecular Weight:717.0
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:716.83302
Monoisotopic Mass:712.83712
Topological Polar Surface Area:115
Heavy Atom Count:33
Complexity:812
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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