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Home > Encyclopedia > 2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate structure

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate 

structure
  • CAS No:

    39032-05-8

  • Formula:

    C23H34N2O9S

  • Chemical Name:

    2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

  • 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)-

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

Characteristics

194 Ų

Drug Information

7-O-demethylcelesticetin

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

Guide of 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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