Ethyl Diphenylphosphonoacetate
PubChem CID
11056297
Structure
Molecular Formula
Synonyms
- 16139-79-0
- Ethyl 2-(diphenoxyphosphoryl)acetate
- Diphenylphosphonoacetic Acid Ethyl Ester
- Ethyl Diphenylphosphonoacetate
- Ethyl diphenylphosphono acetate
Molecular Weight
320.28 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-26
- Modify:2024-12-28
Chemical Structure Depiction
ethyl 2-diphenoxyphosphorylacetate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H17O5P/c1-2-19-16(17)13-22(18,20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
UQMFCYBSUVRGNU-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCOC(=O)CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C16H17O5P
Computed by PubChem 2.2 (PubChem release 2021.10.14)
16139-79-0
- 16139-79-0
- Ethyl 2-(diphenoxyphosphoryl)acetate
- Diphenylphosphonoacetic Acid Ethyl Ester
- Ethyl Diphenylphosphonoacetate
- Ethyl diphenylphosphono acetate
- Ethyl 2-diphenoxyphosphorylacetate
- DTXSID40453612
- Acetic acid, 2-(diphenoxyphosphinyl)-, ethyl ester
- C16H17O5P
- MFCD01321165
- Acetic acid, (diphenoxyphosphinyl)-, ethyl ester
- SCHEMBL1450572
- ethyl(diphenoxyphosphoryl)acetate
- DTXCID30404431
- ethyl (diphenoxyphosphoryl)acetate
- XH1537
- AKOS016008526
- AS-68437
- D2547
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.28 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
320.08136064 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
320.08136064 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
61.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
362
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=UQMFCYBSUVRGNU-UHFFFAOYSA-N
- EPA DSSToxEthyl Diphenylphosphonoacetatehttps://comptox.epa.gov/dashboard/DTXSID40453612
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBaseEthyl (diphenoxyphosphoryl)acetatehttps://spectrabase.com/spectrum/GVrC6W0Qrqa
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataEthyl Diphenylphosphonoacetatehttps://www.wikidata.org/wiki/Q82274794
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 404122365https://pubchem.ncbi.nlm.nih.gov/substance/404122365
CONTENTS