I131-Digitoxinyl benzoate
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I131-Digitoxinyl benzoate
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CAS No:
70429-38-8
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Formula:
C48H68INO14
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Chemical Name:
I131-Digitoxinyl benzoate
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Synonyms:
70429-38-8;I131-Digitoxinyl benzoate;I 131 Digitoxinyl benzoate;DTXSID40990638;Card-20(22)endolide, 3-((O-4-O-(4-amino-3-(iodo-131I)benzoyl)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-;3-({4-O-[4-Amino-3-(~131~I)iodobenzoyl]-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl}oxy)-14-hydroxycard-20(22)-enolide
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CAS No:
Computed Properties
Molecular Weight:1014.0
XLogP3:4.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:10
Exact Mass:1013.370107
Monoisotopic Mass:1013.370107
Topological Polar Surface Area:215
Heavy Atom Count:64
Complexity:1740
Isotope Atom Count:1
Undefined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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