1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
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![1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fd067d256cf74b2a8c4aa4a25ef53933.png "1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione")
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
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CAS No:
39935-49-4
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Formula:
C10H13NO6
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Chemical Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
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Synonyms:
DeazaUrd;MLS002919904;NSC126849;2,4(1H,3H)-pyridinedione, 1-.beta.-D-ribofuranosyl-;ICN 1007;DAU;39935-49-4;1-pentofuranosylpyridine-2,4(1h,3h)-dione;NSC-126849;bmse000731;CHEMBL2004458;NCI60_000618;SMR001797503;2,3H)-Pyridinedione, 1-.beta.-D-ribofuranosyl-;1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione
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CAS No:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione Basic Attributes
243.21 g/mol
243.07428713 g/mol
126849
Characteristics
107 Ų
H2O 18 (mg/mL)|DMSO > 150 (mg/mL)|EtOH < 1 (mg/mL)|DMF > 150 (mg/mL)|EtOAc 0.2 (mg/mL)|CHC13 0.2 (mg/mL)
Safety Information
Bulk: A sample stored at 60 °C for 30 days showed no decomposition by UV absorption or paper chromatography. Solution: A 2% aqueous solution held at room temperature for 24 hours showed no decomposition by UV absorption or paper chromatography.
Computed Properties
Molecular Weight:243.21
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:243.07428713
Monoisotopic Mass:243.07428713
Topological Polar Surface Area:107
Heavy Atom Count:17
Complexity:368
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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