(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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![(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0e5ed1a9be3e4f298cc00c4d1a2845c9.png "(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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CAS No:
140147-36-0
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Formula:
C26H48O16
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Chemical Name:
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Synonyms:
octyl 3,6-di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside;octyl 3,6-di-O-(mannopyranosyl)-mannopyranoside;OdMM;140147-36-0;Octyl 3,6-di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside;OCTYL 3,6-DI-O-(A-D-MANNOPYRANOSYL)-B-D-MANNOPYRANOSIDE;OdMM;(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;Octyl 3,6-di-O-(mannopyranosyl)-mannopyranoside;n-Octyl 3,6-Di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside;SCHEMBL2190556;DTXSID60930718;ZINC77311964;Octyl 3-O,6-O-bis(alpha-D-mannopyranosyl)-beta-D-mannopyranoside;Octyl hexopyranosyl-(1->3)-[hexopyranosyl-(1->6)]hexopyranoside;beta-D-Mannopyranoside, octyl O-alpha-D-mannopyranosyl-(1-3)-O-(alpha-D-mannopyranosyl-(1-6))-
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CAS No:
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes
616.6 g/mol
616.29423544 g/mol
Computed Properties
Molecular Weight:616.6
XLogP3:-2.4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:15
Exact Mass:616.29423544
Monoisotopic Mass:616.29423544
Topological Polar Surface Area:258
Heavy Atom Count:42
Complexity:764
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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