[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate
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![[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/98ecad036a5640bea737b2670bb8ffc9.png "[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate")
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate
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CAS No:
68681-65-2
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Formula:
C44H84O13
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Chemical Name:
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate
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Synonyms:
6-CMT;6-O-corynomycoloyltrehalose;68681-65-2;6-O-Corynomycoloyltrehalose;6-CMT;DTXSID10988365;[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate;6-O-(3-Hydroxy-2-tetradecyloctadecanoyl)hexopyranosyl hexopyranoside;alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)
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CAS No:
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate Basic Attributes
821.1 g/mol
820.59119273 g/mol
Computed Properties
Molecular Weight:821.1
XLogP3:10.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:35
Exact Mass:820.59119273
Monoisotopic Mass:820.59119273
Topological Polar Surface Area:216
Heavy Atom Count:57
Complexity:975
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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