[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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![[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/17b04842c9374d649e81647c323570a5.png "[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate")
[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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CAS No:
132062-50-1
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Formula:
C12H16N3O13P3
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Chemical Name:
[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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Synonyms:
1,7-Dideaza-4-NO2-ddPTP; 1,7-Dideaza-2',3'-dideoxy-5'-triphosphate-6-nitropurine ribofuranoside;
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CAS No:
[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Basic Attributes
503.18900
502.98959857 g/mol
DTXSID30157334
Computed Properties
Molecular Weight:503.19
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:502.98959857
Monoisotopic Mass:502.98959857
Topological Polar Surface Area:233
Heavy Atom Count:31
Complexity:817
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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