[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0d627d29b0f9406ead6f28f3f0c68564.png "[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
132062-42-1
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Formula:
C12H18N3O11P3
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Chemical Name:
[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
1,7-Dideaza ddATP;1,7-Dideaza-2',3'-dideoxy-5'-triphosphate adenosine;132062-42-1;Triphosphoric acid, P-((5-(4-amino-1H-pyrrolo(2,3-b)pyridin-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-;Triphosphoric acid, P-[[5-(4-amino-1H-pyrrolo[2,3-b]pyridin-1-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)-;DTXSID10157332;[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
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CAS No:
[[(2S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
473.21 g/mol
473.01541939 g/mol
DTXSID10157332
Computed Properties
Molecular Weight:473.21
XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:473.01541939
Monoisotopic Mass:473.01541939
Topological Polar Surface Area:213
Heavy Atom Count:29
Complexity:735
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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