[(2R)-3-hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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[(2R)-3-hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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CAS No:
156996-76-8
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Formula:
C43H70F3IN3O10P
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Chemical Name:
[(2R)-3-hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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Synonyms:
1-palmitoyl-2-(decanedioyl mono-(2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl)ester)glycero-3-phosphocholine;I-TID-PC-16;156996-76-8;I-Tid-PC-16;DTXSID70935577;1-Palmitoyl-2-(decanedioyl mono-(2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl)ester)glycero-3-phosphocholine;[(2R)-3-Hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;3-(Hexadecanoyloxy)-2-{[10-({2-(~125~I)iodo-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)-10-oxodecanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
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CAS No:
[(2R)-3-hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Basic Attributes
1001.9 g/mol
1001.37972 g/mol
Drug Information
1-palmitoyl-2-(decanedioyl mono-(2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl)ester)glycero-3-phosphocholine
Computed Properties
Molecular Weight:1001.9
XLogP3:11.9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:39
Exact Mass:1001.37972
Monoisotopic Mass:1001.37972
Topological Polar Surface Area:162
Heavy Atom Count:61
Complexity:1320
Isotope Atom Count:1
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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