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Home > Encyclopedia > (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol

(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol

(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol structure

(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol 

structure
  • CAS No:

    159495-64-4

  • Formula:

    C12H22O10S

  • Chemical Name:

    (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol

  • Synonyms:

    3-S-(alpha-D-glucopyranosyl)-3-thio-D-glucose;3-S-glucopyranosyl-3-thioglucose;thionigerose;thionigerose, (beta-D-gluco)-isomer;Thionigerose;159495-64-4;3-S-Glucopyranosyl-3-thioglucose;3-S-(alpha-D-Glucopyranosyl)-3-thio-D-glucose;3-S-alpha-D-glucopyranosyl-3-thio-alpha-D-Glucopyranose;DTXSID80936111;3-S-Hexopyranosyl-3-thiohexopyranose;(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol;alpha-D-Glucopyranose, 3-S-alpha-D-glucopyranosyl-3-thio-

(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol Basic Attributes

358.36 g/mol

358.09336807 g/mol

Characteristics

206 Ų

Drug Information

3-S-(alpha-D-glucopyranosyl)-3-thio-D-glucose

Computed Properties

Molecular Weight:358.36
XLogP3:-3.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:358.09336807
Monoisotopic Mass:358.09336807
Topological Polar Surface Area:206
Heavy Atom Count:23
Complexity:387
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol

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