3,4,5-Tris(benzyloxy)benzoic Acid - CAS 1486-48-2
Catalog: |
BB010329 |
Product Name: |
3,4,5-Tris(benzyloxy)benzoic Acid |
CAS: |
1486-48-2 |
Synonyms: |
3,4,5-tris(phenylmethoxy)benzoic acid; 3,4,5-tris(phenylmethoxy)benzoic acid |
IUPAC Name: | 3,4,5-tris(phenylmethoxy)benzoic acid |
Description: | Gallic Acid derivative. |
Molecular Weight: | 440.49 |
Molecular Formula: | C28H24O5 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O |
InChI: | InChI=1S/C28H24O5/c29-28(30)24-16-25(31-18-21-10-4-1-5-11-21)27(33-20-23-14-8-3-9-15-23)26(17-24)32-19-22-12-6-2-7-13-22/h1-17H,18-20H2,(H,29,30) |
InChI Key: | NRCGMEJBEDWPMG-UHFFFAOYSA-N |
Boiling Point: | 616.471 °C at 760 mmHg |
Density: | 1.237 g/cm3 |
Appearance: | White to off-white powder |
LogP: | 6.12180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110305102-B | 1, 3-benzodioxole natural polyphenolic acid ester compound and application thereof in reducing blood fat | 20190813 |
WO-2020257495-A1 | Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof | 20190618 |
KR-20200018316-A | Catechin compounds and uses thereof | 20180810 |
KR-20200018318-A | Catechin compounds and uses thereof | 20180810 |
WO-2020032744-A1 | Catechin compound and use thereof | 20180810 |
PMID | Publication Date | Title | Journal |
17517380 | 20070813 | Synthesis of 7-O-galloyl-D-sedoheptulose | Carbohydrate research |
Complexity: | 531 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 440.16237386 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 440.16237386 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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