N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
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N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
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CAS No:
77356-46-8
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Formula:
C20H35NO16
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Chemical Name:
N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
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Synonyms:
AGNALA;alpha-D-galactose-(1-3)-N-acetyllactosamine;alpha-galactose-(1-3)-N-acetyllactosamine;alpha-Galactose-(1-3)-N-acetyllactosamine;77356-46-8;Agnala;alpha-D-Galactose-(1-3)-N-acetyllactosamine;DTXSID20228082;N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3,4-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexan-2-yl]acetamide;D-Glucose, O-alpha-D-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-;N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
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CAS No:
N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide Basic Attributes
545.5 g/mol
545.19558403 g/mol
DTXSID20228082
Computed Properties
Molecular Weight:545.5
XLogP3:-6.6
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:12
Exact Mass:545.19558403
Monoisotopic Mass:545.19558403
Topological Polar Surface Area:285
Heavy Atom Count:37
Complexity:731
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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