Structure Database (LMSD)

Common Name
DIDS
Systematic Name
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
Synonyms
LM ID
LMPK13090003
Formula
C16H10N2O6S4
Exact Mass
Calculate m/z
453.942176
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Membrane proteins related to anion permeability of human red blood cells. I. Localization of disulfonic stilbene binding sites in proteins involved in permeation.,
J Membr Biol, 1974
Pubmed ID: 4838037

String Representations

InChiKey (Click to copy)
YSCNMFDFYJUPEF-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
SMILES (Click to copy)
C1(N=C=S)=CC=C(/C=C/C2=C(S(O)(=O)=O)C=C(N=C=S)C=C2)C(S(O)(=O)=O)=C1

Other Databases

Wikipedia
DIDS
KEGG ID
C11591
CHEBI ID
4286
PubChem CID
5281951
PDB ID
4DS

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 358.58
Topological Polar Surface Area 133.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 7.04
Molar Refractivity 107.10

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Created at
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Updated at
5th Feb 2022