4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
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![4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f5a9f80147ea49ddab8c4eadb5c2b896.png "4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one")
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
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CAS No:
2226-73-5
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Formula:
C8H14N4O11P2
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Chemical Name:
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
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Synonyms:
1,3,5-Triazin-2(1H)-one,4-amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-;s-Triazin-2(1H)-one,4-amino-1-β-D-ribofuranosyl-,5′-pyrophosphate;4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
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CAS No:
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one Basic Attributes
404.164482
404.16
DTXSID80747062
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one Use and Manufacturing
5-Azacytidine 5'-Diphosphate is a phosphorylated metabolite of 5-Azacytidine (A796000).
Computed Properties
Molecular Weight:404.16
XLogP3:-4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:404.01343127
Monoisotopic Mass:404.01343127
Topological Polar Surface Area:234
Heavy Atom Count:25
Complexity:692
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
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