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

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

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

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate 

structure
  • CAS No:

    40736-32-1

  • Formula:

    C22H32N2O9S

  • Chemical Name:

    2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

  • Synonyms:

    N-demethyl-7-O-demethylcelesticetin;N-Demethyl-7-O-demethylcelesticetin;40736-32-1;DTXSID90961156;2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate;2-[(6,8-Dideoxy-6-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}octopyranosyl)thio]ethyl 2-hydroxybenzoate;D-erythro-alpha-D-galacto-Octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-6-((2-pyrrolidinylcarbonyl)amino)-1-thio-, (S)-

2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate Basic Attributes

500.6 g/mol

500.18285178 g/mol

Characteristics

203 Ų

Drug Information

N-demethyl-7-O-demethylcelesticetin

Computed Properties

Molecular Weight:500.6
XLogP3:0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:500.18285178
Monoisotopic Mass:500.18285178
Topological Polar Surface Area:203
Heavy Atom Count:34
Complexity:687
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-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

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