Phosphonoacetic acid - CAS 4408-78-0
Catalog: |
BB025522 |
Product Name: |
Phosphonoacetic acid |
CAS: |
4408-78-0 |
Synonyms: |
2-phosphonoacetic acid |
IUPAC Name: | 2-phosphonoacetic acid |
Description: | Phosphonoacetic acid (CAS# 4408-78-0) is an anti-viral agent. It is also used in viral infection modifications and in superinfection exclusions from preventing cells from being infected by a second viral attack. |
Molecular Weight: | 140.03 |
Molecular Formula: | C2H5O5P |
Canonical SMILES: | C(C(=O)O)P(=O)(O)O |
InChI: | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) |
InChI Key: | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
Boiling Point: | 490.2 °C at 760 mmHg |
Melting Point: | 143-146 °C |
Flash Point: | 267.9°C |
Purity: | 98 % |
Density: | 1.858 g/cm3 |
Solubility: | In vitro: 10 mM in DMSO |
Appearance: | White to off-white powder or crystals |
Storage: | 4°C, sealed storage, away from moisture * In solvent : -80°C, 6 months -20°C, 1 month (sealed storage, away from moisture) |
MDL: | MFCD00004311 |
LogP: | -0.75130 |
Vapor Pressure: | 3.52E-12mmHg at 25°C |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102259337-B1 | Novel phosphonoacetate hydrolase variant and a method for producing XMP or GMP using the same | 20210115 |
CN-112588448-A | Composite collecting agent and application thereof in chalcopyrite flotation | 20201218 |
CN-112409281-A | (E) Synthesis method of (E) -3- (3-chloro-2-fluoro-6- (1H-tetrazole-1-yl) phenyl) acrylic acid | 20200820 |
US-2020325182-A1 | Alphaherpesvirus glycoprotein d-encoding nucleic acid constructs and methods | 20200611 |
US-11130787-B2 | Alphaherpesvirus glycoprotein d-encoding nucleic acid constructs and methods | 20200611 |
PMID | Publication Date | Title | Journal |
23032903 | 20121128 | First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP5 kinase | Chemical communications (Cambridge, England) |
22975353 | 20121026 | Heat induces gene amplification in cancer cells | Biochemical and biophysical research communications |
22895339 | 20120816 | Passenger deletions generate therapeutic vulnerabilities in cancer | Nature |
22474004 | 20120507 | Base-catalyzed direct aldolization of α-alkyl-α-hydroxy trialkyl phosphonoacetates | Angewandte Chemie (International ed. in English) |
22180077 | 20120401 | A cluster of transcripts encoded by KSHV ORF30-33 gene locus | Virus genes |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.98746025 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.98746025 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2 |
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