16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid
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![16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/72100d0c7107426ea3a19fa26cb6df43.png "16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid")
16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid
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CAS No:
128864-45-9
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Formula:
C25H44N3O10P
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Chemical Name:
16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid
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Synonyms:
PCA 16;PCA-16;PCA16;Pca 16;pCA16;128864-45-9;Pca-16;DTXSID50155993;16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid;4-Amino-1-(5-O-(((15-carboxypentadecyl)oxy)hydroxyphosphinyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone;2(1H)-Pyrimidinone, 4-amino-1-(5-O-(((15-carboxypentadecyl)oxy)hydroxyphosphinyl)-beta-D-arabinofuranosyl)-
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CAS No:
16-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexadecanoic acid Basic Attributes
577.6 g/mol
577.27643161 g/mol
DTXSID50155993
Computed Properties
Molecular Weight:577.6
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:21
Exact Mass:577.27643161
Monoisotopic Mass:577.27643161
Topological Polar Surface Area:201
Heavy Atom Count:39
Complexity:871
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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