AC1L8PJY

2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Also Known As: LY231514 TETRA GLU|LDS 798|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-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile|2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Molecular Formula	C15H18N2O5S
Molecular Weight	338.09363 g/mol
LogP	-1.0
Topological Polar Surface Area	149.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	338.09363
Monoisotopic Mass	338.09363
Heavy Atoms	23
Complexity	637.0

Chemical Identifiers

CAS Number	385437-35-4
SMILES	C1CC2=C(C1)N(C(=S)C(=C2)C#N)C3C(C(C(C(O3)CO)O)O)O
InChIKey	MGQJPZMYRGPJRK-UHFFFAOYSA-N