6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ce043b1414d04ed5a51432b9d49a09c0.png "6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
63947-63-7
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Formula:
C19H33NO17
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Chemical Name:
6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
2-O-(beta-D-glucuronyl)-7-O-(2-amino-2-deoxy-alpha-D- glucopyranosyl)-L-glycero-D-manno-heptose;2-O-glucuronyl-7-O-(2-amino-2-deoxyglucopyranosyl)heptose;63947-63-7;DTXSID60981285;2-amino-2-deoxyhexopyranosyl-(1->7)-[hexopyranuronosyl-(1->2)]heptose;2-O-Glucuronyl-7-O-(2-amino-2-deoxyglucopyranosyl)heptose;2-O-(beta-D-Glucuronyl)-7-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-L-glycero-D-manno-heptose;L-glycero-D-manno-Heptose, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-7)-O-(beta-D-glucopyranuronosyl-(1-2))-
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CAS No:
6-[7-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxy-1-oxoheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
547.5 g/mol
547.17484858 g/mol
Drug Information
2-O-(beta-D-glucuronyl)-7-O-(2-amino-2-deoxy-alpha-D- glucopyranosyl)-L-glycero-D-manno-heptose
Computed Properties
Molecular Weight:547.5
XLogP3:-9.5
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:12
Exact Mass:547.17484858
Monoisotopic Mass:547.17484858
Topological Polar Surface Area:320
Heavy Atom Count:37
Complexity:745
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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