3'''-diazomalonyldigitoxin
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3'''-diazomalonyldigitoxin
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CAS No:
74753-41-6
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Formula:
C46H68N2O16
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Chemical Name:
3'''-diazomalonyldigitoxin
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Synonyms:
3"""-DAMD;3"""-diazomalonyldigitoxin;DTXSID10996268;3-{[2,6-Dideoxy-3-O-(2-diazonio-3-ethoxy-1-oxido-3-oxoprop-1-en-1-yl)hexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide;Card-20(22)-enolide, 3-((O-2,6-dideoxy-3-O-(2-diazo-3-ethoxy-1,3-dioxopropyl)-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-, (3beta,5beta)-
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CAS No:
Computed Properties
Molecular Weight:905.0
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:13
Exact Mass:904.45688409
Monoisotopic Mass:904.45688409
Topological Polar Surface Area:217
Heavy Atom Count:64
Complexity:1840
Undefined Atom Stereocenter Count:20
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes