(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1f4fafcb8b2244c2b4dbe1c71c09c8df.png "(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid
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CAS No:
106864-00-0
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Formula:
C15H22N2O18P2
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Chemical Name:
(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid
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Synonyms:
106864-00-0;alpha-D-Glucopyranuronic acid, 1-5'-ester with uridine 5'-(trihydrogen diphosphate), labeled with carbon-14
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CAS No:
(2S,3S,4S,5R,6S)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid Basic Attributes
580.28 g/mol
580.03428585 g/mol
Computed Properties
Molecular Weight:580.28
XLogP3:-6.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:9
Exact Mass:580.03428585
Monoisotopic Mass:580.03428585
Topological Polar Surface Area:309
Heavy Atom Count:37
Complexity:1040
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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