2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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![2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8ce742bd500c4fcfbec37a3e693c6b44.png "2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile")
2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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CAS No:
385437-35-4
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Formula:
C15H18N2O5S
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Chemical Name:
2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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Synonyms:
NSC676618;CHEMBL2005595;NSC-676618;NCI60_027156;1H-Cyclopenta[b]pyridine-3-carbonitrile, 1-hexopyranosyl-2,5,6,7-tetrahydro-2-thioxo-;2-(6-(9-(2,3,6,7-Tetrahydro-1H ,5H -benzo(i,j )quinolizinium)))-2,4-neopentylene-1,3,5-hexatrienyl)-3-methylbenzothiazoliumperchlorate;2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile;385437-35-4
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CAS No:
2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Basic Attributes
338.4 g/mol
338.09364285 g/mol
676618
Computed Properties
Molecular Weight:338.4
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:338.09364285
Monoisotopic Mass:338.09364285
Topological Polar Surface Area:149
Heavy Atom Count:23
Complexity:637
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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