Simmondsin
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Simmondsin
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CAS No:
51771-52-9
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Formula:
C16H25NO9
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Chemical Name:
Simmondsin
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Synonyms:
Acetonitrile,2-[(2S,3R,4S,6R)-6-(β-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]-,(2Z)-;Acetonitrile,[6-(β-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]-,[2S-(1Z,2α,3β,4β,6β)]-;Acetonitrile,[(2S,3R,4S,6R)-6-(β-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]-,(2Z)-;(2Z)-2-[(2S,3R,4S,6R)-6-(β-D-Glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]acetonitrile;Simmondsin;NSC 174187
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CAS No:
Computed Properties
Molecular Weight:375.37
XLogP3:-3.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:375.15293138
Monoisotopic Mass:375.15293138
Topological Polar Surface Area:162
Heavy Atom Count:26
Complexity:547
Defined Atom Stereocenter Count:9
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- ethyl benzoate
- sicl4
- ethyl propionate
- hexanol
- 2-butanol
- p4o10 name
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