3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]oxan-2-yl]methoxy]propanoic acid
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3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]oxan-2-yl]methoxy]propanoic acid
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CAS No:
99102-39-3
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Formula:
C17H23NO11
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Chemical Name:
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]oxan-2-yl]methoxy]propanoic acid
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Synonyms:
5'-O-(6-O-malonylglucopyranosyl)pyridoxine;MG-pyridoxine;99102-39-3;MG-Pyridoxine;5'-O-(6-O-Malonylglucopyranosyl)pyridoxine;DTXSID40912870;3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]oxan-2-yl]methoxy]propanoic acid;[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 6-O-(carboxyacetyl)hexopyranoside
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CAS No:
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]oxan-2-yl]methoxy]propanoic acid Basic Attributes
417.4 g/mol
417.12711055 g/mol
Computed Properties
Molecular Weight:417.4
XLogP3:-2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:417.12711055
Monoisotopic Mass:417.12711055
Topological Polar Surface Area:196
Heavy Atom Count:29
Complexity:562
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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