Isosaccharinic acid
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Isosaccharinic acid
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CAS No:
1518-54-3
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Formula:
C6H12O6
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Chemical Name:
Isosaccharinic acid
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Synonyms:
D-erythro-Pentonic acid,3-deoxy-2-C-(hydroxymethyl)-;3-Deoxy-2-C-(hydroxymethyl)-D-erythro-pentonic acid;α-D-Glucoisosaccharinic acid;D-gluco-Isosaccharinic acid;α-D-Isosaccharinic acid;α-Isosaccharinic acid;α-Glucoisosaccharinic acid;Isosaccharinic acid;(2S,4S)-2,4,5-Trihydroxy-2-(hydroxymethyl)pentanoic acid;3-Deoxy-2-C-hydroxymethyl-D-erythro-pentonic acid;512-49-2;9048-44-6;24873-65-2;25018-10-4
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CAS No:
Computed Properties
Molecular Weight:180.16
XLogP3:-2.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:180.06338810
Monoisotopic Mass:180.06338810
Topological Polar Surface Area:118
Heavy Atom Count:12
Complexity:158
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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