 Home > Encyclopedia > N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide structure

CAS No:
99339-98-7
Formula:
C20H35NO16
Chemical Name:
N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Synonyms:
betaDGal(1-4)betaDGalNAc(1-6)betaDGal;Gal(1-4)GalNAc(1-6)Gal;galactopyranosyl(1-4)-N-acetylgalactosaminyl(1-6)galactose;99339-98-7;Gal(1-4)galnac(1-6)gal;DTXSID70912742;Betadgal(1-4)betadgalnac(1-6)betadgal;Galactopyranosyl(1-4)-N-acetylgalactosaminyl(1-6)galactose;beta-D-Galactopyranose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-6)-, (E,E)-;Hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->6)hexopyranose

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N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide Basic Attributes

Molecular Weight：

545.5 g/mol

Exact Mass：

545.19558403 g/mol

Characteristics

PSA：

278 Å²

Drug Information

MeSH Entry Terms：

betaDGal(1-4)betaDGalNAc(1-6)betaDGal

Computed Properties

Molecular Weight:545.5
XLogP3:-6.9
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:545.19558403
Monoisotopic Mass:545.19558403
Topological Polar Surface Area:278
Heavy Atom Count:37
Complexity:747
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2R,3R,4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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