β-D-Glucopyranose, 1-thio-, 6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate] 1-[5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate], monoammonium salt

CAS Registry Number®

76653-80-0

CAS Name

β-D-Glucopyranose, 1-thio-, 6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate] 1-[5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate], monoammonium salt

Molecular Formula

C23H31NO14S3.H3N

Cite this Page

β-D-Glucopyranose, 1-thio-, 6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate] 1-[5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate], monoammonium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76653-80-0 (retrieved 2024-11-26) (CAS RN: 76653-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H31NO14S3.H3N/c1-34-14-10-13(11-15(35-2)19(14)26)7-8-18(25)36-12-16-20(27)21(28)22(29)23(37-16)39-17(24-38-41(31,32)33)6-4-5-9-40(3)30;/h5,7-11,16,20-23,26-29H,4,6,12H2,1-3H3,(H,31,32,33);1H3/t16-,20-,21+,22-,23+,40?;/m1./s1

InChIKey

InChIKey=LMWXCOXDMRYEKH-PYEMGLMJSA-N

SMILES

S(C(CCC=CS(C)=O)=NOS(=O)(=O)O)[C@@H]1O[C@H](COC(C=CC2=CC(OC)=C(O)C(OC)=C2)=O)[C@@H](O)[C@H](O)[C@H]1O.N

Canonical SMILES

O=C(OCC1OC(SC(=NOS(=O)(=O)O)CCC=CS(=O)C)C(O)C(O)C1O)C=CC2=CC(OC)=C(O)C(OC)=C2.N

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate] 1-[5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate], monoammonium salt

CAS INSIGHTSTM
Hourglass and a clock