3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)-
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![3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/705e3da4f8f84478a000b1ecca4bf1ab.png "3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)-")
3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)-
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CAS No:
79197-21-0
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Formula:
C16H25NO10
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Chemical Name:
3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)-
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Synonyms:
3-Butenenitrile,2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-,(2S)-;3-Butenenitrile,2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-,(S)-;Proacaciberin
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CAS No:
3-Butenenitrile, 2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-, (2S)- Basic Attributes
391.373
391.37
Computed Properties
Molecular Weight:391.37
XLogP3:-2.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:391.14784599
Monoisotopic Mass:391.14784599
Topological Polar Surface Area:182
Heavy Atom Count:27
Complexity:565
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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