[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
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![[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4e60615a0fca4e0c9089c525514574e4.png "[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate")
[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
100844-62-0
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Formula:
C28H45N9O13P2S
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Chemical Name:
[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
Biotinyl-adenoside diphosphate; Adenosine 5'-(trihydrogen diphosphate),N-(2-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)hexyl)amino)-2-oxomethyl)-,(3aS-(3aalpha,4beta,6aalpha)); Biotinyl-ADP;
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CAS No:
[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
809.72200
809.23327769 g/mol
Computed Properties
Molecular Weight:809.7
XLogP3:-3.3
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:21
Exact Mass:809.23327769
Monoisotopic Mass:809.23327769
Topological Polar Surface Area:343
Heavy Atom Count:53
Complexity:1360
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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What is [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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What is [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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