[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid
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![[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5848258f114d4236931e4c0eb7f594c5.png "[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid")
[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid
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CAS No:
2226-74-6
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Formula:
C8H15N4O14P3
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Chemical Name:
[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid
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Synonyms:
5-AzacytidineTriphosphate;5'-azacytidine5'-triphosphate;5-Azacytidine5'-TriphosphateDISCONTINUED;4-AMino-1-β-D-ribofuranosyl-s-triazin-2(1H)-one5'-Triphosphate;4-AMino-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one;[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid
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CAS No:
[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid Basic Attributes
484.14400
483.98000
[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid Use and Manufacturing
A metabolite of 5-Azacytidine.
Computed Properties
Molecular Weight:484.14
XLogP3:-8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:483.97976216
Monoisotopic Mass:483.97976216
Topological Polar Surface Area:280
Heavy Atom Count:29
Complexity:856
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonicacid
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