N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
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N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
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CAS No:
99933-16-1
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Formula:
C15H27NO11
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Chemical Name:
N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
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Synonyms:
Ac-2-MeLac;N-acetyl-2'-O-methyllactosamine;99933-16-1;N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide;Ac-2-Melac;N-Acetyl-2'-O-methyllactosamine;DTXSID70912383;2-Deoxy-2-[(1-hydroxyethylidene)amino]-4-O-(2-O-methylhexopyranosyl)hexose
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CAS No:
N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide Basic Attributes
397.37 g/mol
397.15841068 g/mol
Computed Properties
Molecular Weight:397.37
XLogP3:-4.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:397.15841068
Monoisotopic Mass:397.15841068
Topological Polar Surface Area:195
Heavy Atom Count:27
Complexity:479
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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