2-dihydroxyphosphinoyloxyacrylic acid
2-dihydroxyphosphinoyloxyacrylic acid structure
|
Common Name | 2-dihydroxyphosphinoyloxyacrylic acid | ||
|---|---|---|---|---|
| CAS Number | 138-08-9 | Molecular Weight | 168.04200 | |
| Density | 1.804g/cm3 | Boiling Point | 466.7ºC at 760mmHg | |
| Molecular Formula | C3H5O6P | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 236.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | phosphoenolpyruvic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.804g/cm3 |
|---|---|
| Boiling Point | 466.7ºC at 760mmHg |
| Molecular Formula | C3H5O6P |
| Molecular Weight | 168.04200 |
| Flash Point | 236.1ºC |
| Exact Mass | 167.98200 |
| PSA | 113.87000 |
| Vapour Pressure | 5.29E-10mmHg at 25°C |
| Index of Refraction | 1.53 |
| InChIKey | DTBNBXWJWCWCIK-UHFFFAOYSA-N |
| SMILES | C=C(OP(=O)(O)O)C(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2931900090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:617-35-6
CAS#:134-81-6
CAS#:3443-57-0
CAS#:1713-85-5
CAS#:127-17-3
CAS#:23998-95-0
CAS#:4185-81-3
CAS#:617-48-1
CAS#:328-42-7
CAS#:4265-07-0
CAS#:56-65-5
CAS#:7664-38-2
CAS#:75-47-8
CAS#:138-59-0
CAS#:77-95-2
CAS#:2922-42-1
CAS#:79-33-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2931900090 |
|---|---|
| Summary | 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Ratio of Ki'/Ki (Second order rate constant for inhibition of prolidase/First order r...
Source: ChEMBL
Target: N/A
External Id: CHEMBL848602
|
|
Name: Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-IC50 for protein-ligand complexes
|
|
Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082
|
|
Name: PEPCK Inhibition Assay from Article 10.1021/acs.biochem.7b00178: "Asymmetric Anchorin...
Source: BindingDB
Target: N/A
External Id: BindingDB_7895_1
|
|
Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-dihydroxyphosphinoyloxyacrylic acid |
| phosphoenol pyruvic acid |
| 3-Phosphono-2-imino-1-methyl-4-oxoimidazolidine |
| EINECS 205-312-2 |
| PIMOI |
| Phosphoenolpyruvate |
| phosphocreatinine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of phosphoenolpyruvic acid? |
| A: Polar surface area (PSA) of phosphoenolpyruvic acid is 113.87000. |
| Q: What is the molecular weight of phosphoenolpyruvic acid? |
| A: Molecular weight of phosphoenolpyruvic acid is 168.04200. |
| Q: What are the upstream materials of phosphoenolpyruvic acid? |
| A: Related upstream materials(CAS) of phosphoenolpyruvic acid: 617-35-6;134-81-6;3443-57-0;1713-85-5;127-17-3;23998-95-0;4185-81-3;617-48-1. |
| Q: What is the SMILES notation of phosphoenolpyruvic acid? |
| A: SMILES notation of phosphoenolpyruvic acid is C=C(OP(=O)(O)O)C(=O)O. |
| Q: What is the CAS number of phosphoenolpyruvic acid? |
| A: CAS number of phosphoenolpyruvic acid is 138-08-9. |
| Q: What is the InChIKey of phosphoenolpyruvic acid? |
| A: InChIKey of phosphoenolpyruvic acid is DTBNBXWJWCWCIK-UHFFFAOYSA-N. |
| Q: What is the English name of phosphoenolpyruvic acid? |
| A: The English name of phosphoenolpyruvic acid is phosphoenolpyruvic acid. |
| Q: What is the boiling point of phosphoenolpyruvic acid? |
| A: Boiling point of phosphoenolpyruvic acid is 466.7ºC at 760mmHg. |
| Q: What are the downstream products of phosphoenolpyruvic acid? |
| A: Related downstream products(CAS) of phosphoenolpyruvic acid: 328-42-7;4265-07-0;127-17-3;56-65-5;7664-38-2;75-47-8;138-59-0;77-95-2;2922-42-1;79-33-4. |
| Q: What English synonyms does phosphoenolpyruvic acid have? |
| A: English synonyms of phosphoenolpyruvic acid: 2-dihydroxyphosphinoyloxyacrylic acid, phosphoenol pyruvic acid, 3-Phosphono-2-imino-1-methyl-4-oxoimidazolidine, EINECS 205-312-2, PIMOI, Phosphoenolpyruvate, phosphocreatinine. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |