2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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CAS No:
40736-32-1
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Formula:
C22H32N2O9S
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Chemical Name:
2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
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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)-
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CAS No:
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
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
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