Record Information
Version1.0
Creation date2010-04-08 22:08:05 UTC
Update date2015-07-20 22:22:36 UTC
Primary IDFDB008463
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHydroxytriphenylstannane
DescriptionFentin, also known as [sn(OH)PH3] or du-ter, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Based on a literature review a significant number of articles have been published on Fentin.
CAS Number76-87-9
Structure
Thumb
Synonyms
SynonymSource
[sn(OH)PH3]ChEBI
HydroxytriphenylstannaneChEBI
HydroxytriphenyltinChEBI
sn(OH)PH3ChEBI
Triphenylstannylium hydroxideChEBI
Triphenyltin hydroxideChEBI
Ashlade flotinHMDB
Brestan H 47.5 WP fungicideHMDB
Brestan RHMDB
Dowco 186HMDB
Du-terHMDB
Du-ter fungicideHMDB
Du-ter fungicide wettable powderHMDB
Du-ter PB-47 fungicideHMDB
Du-ter W-50HMDB
Du-tur flowable-30HMDB
DuterHMDB
Duter extraHMDB
ErithaneHMDB
FarmatinHMDB
FenolovoHMDB
Fentin hydroxideHMDB
Fentin hydroxide, bsiHMDB
FentineHMDB
Fintin hydroxidHMDB
Fintin hydroxydeHMDB
Fintin idrossidoHMDB
Fintine hydroxideHMDB
Fintine hydroxydeHMDB
Flo tin 4lHMDB
Flo-tin 4lHMDB
HaitinHMDB
Haitin WP 20 (fentin hydroxide 20%)HMDB
Haitin WP 60 (fentin hydroxide 60%)HMDB
Hydroxyde de triphenyl-etainHMDB
Hydroxytriphenyl-stannaneHMDB
Hydroxytriphenyl-tinHMDB
Ida, imc flo-tin 4lHMDB
Idrossido di stagno trifenileHMDB
K 19HMDB
KelthoneHMDB
Phenostat-a HHMDB
Phenostat-HHMDB
Quadrangle super-tin 4lHMDB
Sunitron HHMDB
Super tinHMDB
Super tin 4 LHMDB
Super tin 4lHMDB
Super tin 4l gardian flowable fungicideHMDB
Suzu HHMDB
Suzu-HHMDB
TenhideHMDB
TPTHHMDB
TPTH TechnicalHMDB
TptohHMDB
Trifenyl-tinhydroxydeHMDB
TrifenylstanniumhydroxidHMDB
Triphenyl tin hydroxideHMDB
Triphenyl-stannolHMDB
Triphenyl-zinnhydroxidHMDB
TriphenylhydroxytinHMDB
TriphenylstannanolHMDB
Triphenylstannium hydroxideHMDB
Triphenyltin oxideHMDB
Triphenyltin(IV) hydroxideHMDB
Triphenytin hydroxideHMDB
Triple tinHMDB
Triple tin 4lHMDB
Vancide KSHMDB
Vito spot fungicideHMDB
Wesley technical triphenyltin hydroxideHMDB
FentinChEBI
[Sn(OH)Ph3]biospider
Brestan rbiospider
Du-Terdb_source
Du-Ter PB-47 Fungicidebiospider
Du-Ter W-50biospider
Du-Tur Flowable-30biospider
Fentin [iso]biospider
Fentin hydroxide [bsi]biospider
Fentin hydroxide, BSIdb_source
Fintin hydroxid (german)biospider
Flo Tin 4lbiospider
Flo-tin 4Lbiospider
Ida, Imc Flo-Tin 4Lbiospider
K 19 (VAN)biospider
Phenostat-a hbiospider
Phenostat-hbiospider
Sn(OH)Ph3biospider
Stannane, hydroxytriphenyl-biospider
Stannol, triphenyl-biospider
Sunitron hbiospider
Super Tin 4L Gardian Flowable Fungicidebiospider
Suzu hbiospider
Suzu-hbiospider
Tin, hydroxytriphenyl-biospider
TPTH technicalbiospider
Triphenyl-zinnhydroxid (german)biospider
Triple Tin 4lbiospider
Predicted Properties
PropertyValueSource
Water Solubility0.015 g/LALOGPS
logP4.38ALOGPS
logP2.61ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)8.49ChemAxon
pKa (Strongest Basic)-5.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity78.99 m³·mol⁻¹ChemAxon
Polarizability31.02 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC18H16OSn
IUPAC nametriphenylstannanol
InChI IdentifierInChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
InChI KeyBFWMWWXRWVJXSE-UHFFFAOYSA-M
Isomeric SMILESO[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Average Molecular Weight367.03
Monoisotopic Molecular Weight368.022311705
Classification
Description Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Metal aryl
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organotin compound
  • Organometallic compound
  • Organic post-transition metal moeity
  • Organic hydroxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Biological location:

Source:

Role

Environmental role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 58.90%; H 4.39%; O 4.36%; Sn 32.34%DFC
Melting PointMp 116-120° dec.DFC
Boiling PointNot Available
Experimental Water Solubility0.0004 mg/mL at 25 oCCHEMICALS INSPECTION AND TESTING INSTITU (1992)
Experimental logP3.53ARNOLD,CG ET AL. (1997)
Experimental pKa5.2
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSHydroxytriphenylstannane, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSHydroxytriphenylstannane, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0009000000-7fa0a9467d49d144fa14Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0uxr-0009000000-1f78b93cadd0c98f6268Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-1009000000-3658fdd5fe8cfa6ec9cdSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014r-0069000000-90cc43378bc5459d0045Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-1019000000-5d0b1af43801092a037eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004r-9071000000-92e63d906e762b7dc504Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0039000000-5d971bdeef88a4cca219Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00kr-4096000000-a279a59223a002288037Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0090000000-588b8668f8bb9fbb1e95Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0009000000-e8723923000f9b2661d1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0296-0095000000-5569eb1eb70796ba905eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-7bd83f0bf390952fb503Spectrum
NMRNot Available
ChemSpider ID8082871
ChEMBL IDNot Available
KEGG Compound IDC18729
Pubchem Compound ID9907219
Pubchem Substance IDNot Available
ChEBI ID30473
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31790
CRC / DFC (Dictionary of Food Compounds) IDDLC05-S:DLC05-S
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference