Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 17:45:28 UTC |
---|
Update Date | 2022-03-07 02:53:07 UTC |
---|
HMDB ID | HMDB0031789 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | (Acetyloxy)triphenylstannane |
---|
Description | (Acetyloxy)triphenylstannane, also known as tinestan or acetoxytriphenyltin, 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 small amount of articles have been published on (Acetyloxy)triphenylstannane. |
---|
Structure | CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1 |
---|
Synonyms | Value | Source |
---|
Acetatotriphenylstannane | ChEBI | Acetic acid, triphenylstannyl ester | ChEBI | Acetoxy-triphenyl-stannan | ChEBI | Acetoxytriphenylstannane | ChEBI | Acetoxytriphenyltin | ChEBI | Fentin azetat | ChEBI | Phentin acetate | ChEBI | Phentinoacetate | ChEBI | Tin triphenyl acetate | ChEBI | Triphenyl-zinnacetat | ChEBI | Triphenylaceto stannane | ChEBI | Triphenylstannium acetate | ChEBI | Triphenylstannyl acetate | ChEBI | Triphenyltin acetate | ChEBI | Triphenyltin(IV) acetate | ChEBI | Acetate, triphenylstannyl ester | Generator | Phentin acetic acid | Generator | Phentinoacetic acid | Generator | Tin triphenyl acetic acid | Generator | Triphenylstannium acetic acid | Generator | Triphenylstannyl acetic acid | Generator | Triphenyltin acetic acid | Generator | Triphenyltin(IV) acetic acid | Generator | (Acetyloxy)(triphenyl)stannane | HMDB | (Acetyloxy)triphenyl-stannane | HMDB | Acetate de triphenyl-etain | HMDB | Acetato di stagno trifenile | HMDB | Acetoxy-triphenylstannane | HMDB | Acetoxytriphenyl-stannane | HMDB | Acetoxytriphenyl-tin | HMDB | Batasan | HMDB | Benzaldehyde, m-nitro-, 3-thio-4-O-tolylsemicarbazone | HMDB | Brestan | HMDB | Brestan 60 | HMDB | Fenolovo acetate | HMDB | Fentin acetaat | HMDB | Fentin acetat | HMDB | Fentin acetate | HMDB | Fentinacetat | HMDB | Fentine acetate | HMDB | Fintin acetato | HMDB | Liromatin | HMDB | Lirostanol | HMDB | m-Nitrobenzaldehyde 3-thio-4-O-tolylsemicarbazone | HMDB | Phenostat a | HMDB | SUZU | HMDB | Tinestan | HMDB | Tinestan 60 WP | HMDB | Tinestan WP 20 | HMDB | Tinestan WP 60 | HMDB | TPTA | HMDB | TPZA | HMDB | Trifenil stagno acetato | HMDB | Trifenyl-tinacetaat | HMDB | Fentin acetic acid | HMDB | (Acetyloxy)triphenylstannane | ChEBI |
|
---|
Chemical Formula | C20H18O2Sn |
---|
Average Molecular Weight | 409.07 |
---|
Monoisotopic Molecular Weight | 410.032876391 |
---|
IUPAC Name | triphenylstannyl acetate |
---|
Traditional Name | batasan |
---|
CAS Registry Number | 900-95-8 |
---|
SMILES | CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
---|
InChI Identifier | InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1 |
---|
InChI Key | WDQNIWFZKXZFAY-UHFFFAOYSA-M |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Not Available |
---|
Direct Parent | Benzene and substituted derivatives |
---|
Alternative Parents | |
---|
Substituents | - Metal aryl
- Monocyclic benzene moiety
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organotin compound
- Organooxygen compound
- Organometallic compound
- Organic post-transition metal moeity
- Carbonyl group
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Not Available |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 121 - 123 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.009 mg/mL at 20 °C | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - (Acetyloxy)triphenylstannane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 10V, Positive-QTOF | splash10-03di-0003900000-926cf02c5cc32258bf3d | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 20V, Positive-QTOF | splash10-0gb9-4009100000-020c95334f6d570711ff | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 40V, Positive-QTOF | splash10-00kf-9008100000-2ae2e82cf98bbe4f9043 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 10V, Negative-QTOF | splash10-0a4i-0001900000-5fd368f6ed7aed21dc96 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 20V, Negative-QTOF | splash10-0a4i-1002900000-6960ebca8bd95453e5a4 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 40V, Negative-QTOF | splash10-0006-3019100000-83ac1bcaf12bec3e92cf | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 10V, Positive-QTOF | splash10-03di-0001900000-c98c3889241320d3a31d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 20V, Positive-QTOF | splash10-0il3-0039600000-f2aeb1fce636c37fa35a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 40V, Positive-QTOF | splash10-0f96-4079000000-2c5682a3408d5fe37d23 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 10V, Negative-QTOF | splash10-0a4i-0000900000-0d88066433ee70b14ea6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 20V, Negative-QTOF | splash10-0a4i-0001900000-1d1f07b6dae2608d4c2e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Acetyloxy)triphenylstannane 40V, Negative-QTOF | splash10-000i-0090000000-f51bb6a670d13747dfe6 | 2021-09-22 | Wishart Lab | View Spectrum |
|
---|