BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

DSS

DSS bmse000795 - Data

DSS synonyms

Sodium 3-(trimethylsilyl)-1-propanesulfonate; 3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt; 2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt; DSS sodium salt

Wikipedia:

Graphical representations:

DSS

View large 3D structure

Molecular Formula: C6H15O3NaSiS

Natural Isotopic Abundance Mass: 218.32177

Mono-Isotopic Molecular Masses:

  • C12N14: 218.0408862405
  • C13N14: 224.0610152673
  • C12N15: 218.0408862405
  • C13N15: 224.0610152673

InChI string: InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1

PubChem Compound (CID): 5167273
CAS Registry number: 2039-96-5
MDL number: MFCD00007537
Beilstein Registry Number: 4035923
EC Number: 218-031-5
Sigma-Aldrich: 178837_ALDRICH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)