2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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CAS No:
39032-05-8
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Formula:
C23H34N2O9S
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Chemical Name:
2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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Synonyms:
7-O-demethylcelesticetin;39032-05-8;7-O-Demethylcelesticetin;Demethyl-Celesticetin;DTXSID50959872;2-[(6,8-Dideoxy-6-{[hydroxy(1-methylpyrrolidin-2-yl)methylidene]amino}octopyranosyl)thio]ethyl 2-hydroxybenzoate;D-erythro-alpha-D-galacto-Octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-6-(((1-methyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, (S)-
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CAS No:
2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate Basic Attributes
514.6 g/mol
514.19850184 g/mol
Computed Properties
Molecular Weight:514.6
XLogP3:0.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:514.19850184
Monoisotopic Mass:514.19850184
Topological Polar Surface Area:194
Heavy Atom Count:35
Complexity:717
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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