1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
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![1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/abebadc243c942889f58c59ada30b19b.png "1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol")
1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
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CAS No:
39318-73-5
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Formula:
C14H25NO9
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Chemical Name:
1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
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Synonyms:
D-chiro-Inositol,1,5-dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-;D-chiro-Inositol,1,5-dideoxy-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-,[1S-(1α,4α,5β,6α)]-;1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol;Validoxylamine B;52277-01-7
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CAS No:
1,5-Dideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol Basic Attributes
351.35 g/mol
351.35
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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