(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
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![(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-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/20220811/6619e550872c40498143ce74852dfbd4.png "(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide")
(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
structure -
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CAS No:
150417-68-8
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Formula:
C16H23Br2N5O4
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Chemical Name:
(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
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Synonyms:
aplysinamisine II;aplysinamisine-II;Aplysinamisine II;150417-68-8;Aplysinamisine-II;DTXSID00933940;1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(5-((aminoiminomethyl)amino)pentyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-;7,9-Dibromo-N-(5-carbamimidamidopentyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
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CAS No:
(6R)-7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide Basic Attributes
509.2 g/mol
509.00963 g/mol
Computed Properties
Molecular Weight:509.2
XLogP3:-0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:509.00963
Monoisotopic Mass:507.01168
Topological Polar Surface Area:145
Heavy Atom Count:27
Complexity:703
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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