Validoxylamine B
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Validoxylamine B
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CAS No:
39318-73-5
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Formula:
C14H25NO9
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Chemical Name:
Validoxylamine B
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Synonyms:
Validoxylamine B;1,5-Dideoxy-5-hydroxymethyl-1-[[(1S)-4β,5α,6β-trihydroxy-3-hydroxymethyl-2-cyclohexen-1β-yl]amino]-D-chiro-inositol;D-chiro-Inositol, 1,5-dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
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CAS No:
Description
ChEBI: Validoxylamine B is an amino cyclitol that is (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,2S,3R,4R,5S,6S)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl group. It is an amino cyclitol and a secondary amino compound. It is a conjugate acid of a validoxylamine B(1+).
Computed Properties
Molecular Weight:351.35
XLogP3:-5.1
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:351.15293138
Monoisotopic Mass:351.15293138
Topological Polar Surface Area:194
Heavy Atom Count:24
Complexity:462
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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