Record Information
Version1.0
Creation Date2016-09-30 22:49:10 UTC
Update Date2020-06-04 19:14:19 UTC
MCDB ID BMDB0001960
Secondary Accession Numbers
  • BMDB01960
Metabolite Identification
Common NameTin
DescriptionTin, also known as sn(4+) or tin, ion (sn4+), belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom. Tin is possibly soluble (in water) and a weakly acidic compound (based on its pKa). Tin is a potentially toxic compound.
Structure
Thumb
Synonyms
ValueSource
sn(4+)ChEBI
Tin, ion (sn4+)ChEBI
InnohepMeSH
2 Propenoic acid, 3 phenylMeSH
TinzaparinMeSH
3-Phenyl- 2-propenoic acidMeSH
Tinzaparin sodiumMeSH
Chemical FormulaSn
Average Molecular Weight118.71
Monoisotopic Molecular Weight119.900002251
IUPAC Nametin(4+) ion
Traditional Nametin(4+) ion
CAS Registry Number22537-50-4
SMILES
[Sn+4]
InChI Identifier
InChI=1S/Sn/q+4
InChI KeySYRHIZPPCHMRIT-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous post-transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.5ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-78063ee371f483449e692016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-78063ee371f483449e692016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-78063ee371f483449e692016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-8860d52d1d228364d3c82016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-8860d52d1d228364d3c82016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-8860d52d1d228364d3c82016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.1 +/- 0.0034 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.043 +/- 0.00084 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.1 +/- 0.002 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.1 +/- 0.002 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.0531 +/- 0.00421 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.0371 +/- 0.00253 uM
  • Patricia Cava-Mon...
details
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTin
METLIN IDNot Available
PubChem Compound4077523
PDB IDNot Available
ChEBI ID30476
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.