19-butyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
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19-butyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
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CAS No:
80111-97-3
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Formula:
C26H45N5O7
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Chemical Name:
19-butyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
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Synonyms:
isariin;isariin B;isariin C;isariin D;isarolide;Isariin D;80111-97-3;L-Alanine, N-(3-hydroxy-1-oxoheptyl)glycyl-L-valyl-D-leucyl-L-alanyl-, (5->1)-lactone 5;DTXSID001000976;ZINC14557361;19-Butyl-5,8,11,14,17-pentahydroxy-3,6-dimethyl-9-(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
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CAS No:
19-butyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone Basic Attributes
539.7 g/mol
539.33189879 g/mol
Computed Properties
Molecular Weight:539.7
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:539.33189879
Monoisotopic Mass:539.33189879
Topological Polar Surface Area:172
Heavy Atom Count:38
Complexity:861
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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