2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid
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![2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4990809fc6444546a05875b9c05162b1.png "2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid")
2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid
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CAS No:
77752-20-6
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Formula:
C22H34O19
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Chemical Name:
2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid
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Synonyms:
citric acid tririboside;ribocitrin;triribofuranosylcitrate;Ribocitrin;Triribofuranosylcitrate;Citric acid tririboside;77752-20-6;DTXSID90998947;2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid;1,2,4-Butanetricarboxylic acid, 2-((O-alpha-D-ribofuranosyl-(1-2)-O-alpha-D-ribofuranosyl-(1-3)-alpha-D-ribofuranosyl)oxy)-, (S)-;2-{[Pentofuranosyl-(1->2)pentofuranosyl-(1->3)pentofuranosyl]oxy}butane-1,2,4-tricarboxylic acid
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CAS No:
2-[4-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylic acid Basic Attributes
602.5 g/mol
602.16942885 g/mol
Computed Properties
Molecular Weight:602.5
XLogP3:-5.1
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:15
Exact Mass:602.16942885
Monoisotopic Mass:602.16942885
Topological Polar Surface Area:309
Heavy Atom Count:41
Complexity:917
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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