(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4de6a9f5e8ff486d86fa12bd1d88014a.png "(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid
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CAS No:
84666-95-5
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Formula:
C17H20N2O8
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid
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Synonyms:
UNII-PE6H2RD2JH;PE6H2RD2JH;3-(Hydroxymethyl)antipyrine glucuronide;(2,5-Dihydro-2-methyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)methyl beta-D-glucopyranosiduronic acid;84666-95-5;beta-D-Glucopyranosiduronic acid, (2,5-dihydro-2-methyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)methyl
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]oxane-2-carboxylic acid Basic Attributes
380.3 g/mol
380.12196560 g/mol
PE6H2RD2JH
Computed Properties
Molecular Weight:380.3
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:380.12196560
Monoisotopic Mass:380.12196560
Topological Polar Surface Area:140
Heavy Atom Count:27
Complexity:606
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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