2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
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![2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5544687d1d94434da5abae70eaf2b653.png "2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid")
2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
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CAS No:
121864-87-7
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Formula:
C14H14N3O9PS
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Chemical Name:
2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,2-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo); Pyridoxal phosphate-6-azophenyl-2'-sulfonic acid; PPAPS;
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CAS No:
2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid Basic Attributes
431.31400
431.01883720 g/mol
Computed Properties
Molecular Weight:431.32
XLogP3:-0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:431.01883720
Monoisotopic Mass:431.01883720
Topological Polar Surface Area:204
Heavy Atom Count:28
Complexity:722
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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