D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
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D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
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CAS No:
117192-99-1
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Formula:
C27H48N4O21
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Chemical Name:
D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
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Synonyms:
boholmycin;BMY 28321;BU 2589;D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate;D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate;CTK8G6388;DTXSID40922318;[4-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2-[5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-3-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl] carbamate;LS-84038
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CAS No:
D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate Basic Attributes
764.688
764.281
Computed Properties
Molecular Weight:764.7
XLogP3:-9
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:14
Exact Mass:764.28110455
Monoisotopic Mass:764.28110455
Topological Polar Surface Area:421
Heavy Atom Count:52
Complexity:1180
Undefined Atom Stereocenter Count:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
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