1-(4-Nitrophenyl)glycerol - CAS 2207-68-3
Catalog: |
BB017344 |
Product Name: |
1-(4-Nitrophenyl)glycerol |
CAS: |
2207-68-3 |
Synonyms: |
1,2,3-Propanetriol, 1-(4-nitrophenyl)-; 1,2,3-Propanetriol, 1-(p-nitrophenyl)-; 1-(4-Nitrophenyl)-1,2,3-propanetriol; 1-(p-Nitrophenyl)-1,2,3-propanetriol; PNPG; P-Nitrophenylglycerol; 4-Nitrophenylglycerol |
IUPAC Name: | 1-(4-nitrophenyl)propane-1,2,3-triol |
Description: | 1-(4-Nitrophenyl)glycerol inhibits the coordinately regulated activities of swarming behavior and virulence factor expression in Proteus mirabilis. |
Molecular Weight: | 213.19 |
Molecular Formula: | C9H11NO5 |
Canonical SMILES: | C1=CC(=CC=C1C(C(CO)O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H11NO5/c11-5-8(12)9(13)6-1-3-7(4-2-6)10(14)15/h1-4,8-9,11-13H,5H2 |
InChI Key: | IUZVZBIQZKBWCC-UHFFFAOYSA-N |
Boiling Point: | 471.6±45.0°C at 760 mmHg |
Melting Point: | 95-97°C |
Purity: | ≥95% |
Density: | 1.478±0.06 g/cm3 |
Appearance: | White to Light Yellow Crystal Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00017037 |
LogP: | 0.50460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019145736-A1 | Sensor for locating within a urinary drainage bag | 20180129 |
EP-3746013-A1 | Sensor for locating within a urinary drainage bag | 20180129 |
US-2021030581-A1 | Sensor for locating within a urinary drainage bag | 20180129 |
JP-WO2015072290-A1 | Process for producing optically active monoester of 1,2,3-triol compound | 20131118 |
WO-2015072290-A1 | Method for producing optically active monoester of 1,2,3-triol compound | 20131118 |
PMID | Publication Date | Title | Journal |
21784632 | 20110915 | New inhibitors of colony spreading in Bacillus subtilis and Bacillus anthracis | Bioorganic & medicinal chemistry letters |
19619987 | 20091001 | Use of quorum sensing antagonists to deter the formation of crystalline Proteus mirabilis biofilms | International journal of antimicrobial agents |
18298829 | 20080225 | Swarming and complex pattern formation in Paenibacillus vortex studied by imaging and tracking cells | BMC microbiology |
17176050 | 20061226 | Direct sugar binding to LacY measured by resonance energy transfer | Biochemistry |
15060680 | 20040201 | Effects of PNPG on cell growth cycle, motility machinery and quorum sensing in Serratia marcescens | Journal of microbiology, immunology, and infection = Wei mian yu gan ran za zhi |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.06372245 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 107 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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