Surugatoxin
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Surugatoxin
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CAS No:
40957-92-4
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Formula:
C25H26BrN5O13
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Chemical Name:
Surugatoxin
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Synonyms:
D-myo-Inositol,4-[(3S,6′aR,7′S,9′R)-6-bromo-1,1′,2,2′,3′,4′,5′,6′,6′a,7′,9′,10′-dodecahydro-6′a,9′-dihydroxy-9′-methyl-1′,2,3′,10′-tetraoxospiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine]-7′-carboxylate];D-myo-Inositol,4-(6-bromo-1,1′,2,2′,3′,4′,5′,6′,6′a,7′,9′,10′-dodecahydro-6′a,9′-dihydroxy-9′-methyl-1′,2,3′,10′-tetraoxospiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine]-7′-carboxylate),[6′aS-(6′aα,7′α,8′α,9′α)]-;Spiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine],D-myo-inositol deriv.;Surugatoxin;NSC 254240
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CAS No:
Computed Properties
Molecular Weight:684.4
XLogP3:-5
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:683.07105
Monoisotopic Mass:683.07105
Topological Polar Surface Area:288
Heavy Atom Count:44
Complexity:1350
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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