2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
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![2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7eb137e6e34543eca3b3f791e75c0a5f.png "2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid")
2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
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CAS No:
112575-63-0
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Formula:
C24H22IN7O5
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Chemical Name:
2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
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Synonyms:
BWA 947U;BWA-947U;BWA947U;112575-63-0;Bwa 947U;Bwa-947U;BWA947U;DTXSID20920837;[4-(3-{2-[4-Azido-3-(~125~I)iodophenyl]ethyl}-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid
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CAS No:
2-[4-[3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid Basic Attributes
613.4 g/mol
613.07287 g/mol
Computed Properties
Molecular Weight:613.4
XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:613.07287
Monoisotopic Mass:613.07287
Topological Polar Surface Area:130
Heavy Atom Count:37
Complexity:895
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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