Home > Product Catalog > All > β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-4-pentenimidate], ion(1-), 2-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium (9CI)

β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-4-pentenimidate], ion(1-), 2-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium (9CI)

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Catalog No. : NC24580

CAS No. : 169272-87-1

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Molecular Formula : C₂₇H₄₂N₂O₁₄S₂

Chemical Name : β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-4-pentenimidate], ion(1-), 2-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium (9CI)

Molecular Weight : 682.76

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Basic information

Standard English name
Cas No.	169272-87-1
Alias	β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-4-pentenimidate], ion(1-), 2-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium (9CI)
Canonical Smiles	COC1=CC(=CC(OC)=C1O)C=CC(=O)OCC[N+](C)(C)C.C=CCCC(=NOS([O-])(=O)=O)SC1OC(CO)C(O)C(O)C1O
MDL No.
Exact Mass	682.20775
Smiles	O=C(OCC[N+](C)(C)C)C=CC1=CC(OC)=C(O)C(OC)=C1.O=S(=O)([O-])ON=C(SC1OC(CO)C(O)C(O)C1O)CCC=C

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Inchi	InChI=1S/C16H23NO5.C11H19NO9S2/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h6-7,10-11H,8-9H2,1-5H3;2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)
InchiKey	HZGGHFWXXHODQW-UHFFFAOYSA-N
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