9-deazaadenosine triphosphate
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9-deazaadenosine triphosphate
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CAS No:
86568-55-0
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Formula:
C11H17N4O13P3
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Chemical Name:
9-deazaadenosine triphosphate
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Synonyms:
9-deazaadenosine triphosphate;C9ATP;DTXSID201006932;[[(2R,3S,4R,5S)-5-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol;D-Ribitol, 1-C-(4-amino-5H-pyrrolo(3,2-d)pyrimidin-7-yl)-1,4-anhydro-, 5-(tetrahydrogen triphosphate), (S)-
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CAS No:
Computed Properties
Molecular Weight:506.19
XLogP3:-6.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:506.00049760
Monoisotopic Mass:506.00049760
Topological Polar Surface Area:274
Heavy Atom Count:31
Complexity:840
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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