[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96bb31fa1bd74984b3ab82b028b47791.png "[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
79084-77-8
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Formula:
C9H13NO12P2
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Chemical Name:
[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
showdomycin diphosphate;79084-77-8;Showdomycin diphosphate;DTXSID301000256;1H-Pyrrole-2,5-dione, 3-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-;1,4-Anhydro-1-(5-hydroxy-2-oxo-2H-pyrrol-3-yl)-5-O-[hydroxy(phosphonooxy)phosphoryl]pentitol
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CAS No:
[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
389.15 g/mol
388.99129885 g/mol
Computed Properties
Molecular Weight:389.15
XLogP3:-5.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:388.99129885
Monoisotopic Mass:388.99129885
Topological Polar Surface Area:209
Heavy Atom Count:24
Complexity:669
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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