1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxycyclopent-2-ene-1-carbonitrile
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1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxycyclopent-2-ene-1-carbonitrile
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CAS No:
97564-60-8
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Formula:
C18H27NO11
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Chemical Name:
1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxycyclopent-2-ene-1-carbonitrile
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Synonyms:
1-Glucopyranosylosy-4-(6-deoxyallopyranosyloxy)-2-cyclopentene-1-carbonitrile; Passitrifasciatin;
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CAS No:
1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxycyclopent-2-ene-1-carbonitrile Basic Attributes
433.40700
433.15841068
Computed Properties
Molecular Weight:433.4
XLogP3:-4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:433.15841068
Monoisotopic Mass:433.15841068
Topological Polar Surface Area:202
Heavy Atom Count:30
Complexity:682
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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