(1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid (CAS 86632-03-3) — formula C34H30O15, molecular weight 678.6; category organic chemicals.
| CAS Number | 86632-03-3 |
|---|---|
| Molecular Formula | C34H30O15 |
| Molecular Weight | 678.6 |
| LogP | 3.5 |
| Category | Organic Chemicals |
(1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid is a carbon-based organic compound with CAS registry number 86632-03-3 and molecular formula C34H30O15 (molecular weight 678.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 86632-03-3
Its molecular formula C34H30O15 comprises 34 C, 30 H, 15 O atoms.
Also known as: (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid · 3,4,5-三咖啡酰奎宁酸
Category: organic chemicals
The CAS registry number of (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid is 86632-03-3.
Molecular formula C34H30O15, molecular weight 678.6.
It is also registered under: (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid, 3,4,5-三咖啡酰奎宁酸.
Category: Organic Chemicals.
Independent reference data for (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid (CAS 86632-03-3), compiled from public chemistry databases.
| CAS 号 | 86632-03-3 |
|---|---|
| PubChem CID | 6440783 |
| 分子式 | C34H30O15 |
| IUPAC 名称 | trans-(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid |
| Molecular Weight | 678.6 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 13 |
| Exact Mass | 678.15847025 |
| Monoisotopic Mass | 678.15847025 |
| Topological Polar Surface Area | 258 |
| Heavy Atom Count | 49 |
3,4,5-tricaffeoylquinic acid; 86632-03-3; 3,4,5-tri-CQA; 3,4,5-Tri-O-caffeoylquinic acid; 3,4,5-triCQA; CHEMBL499997; (1S,3R,4S,5R)-3,4,5-Tris(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1-hydroxycyclohexane-1-carboxylic acid; (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid; (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxy-cyclohexanecarboxylic acid; Caffeoylquinic acid der.; 3,4,5-Tricaffeoylquinicacid; C34H30O15; MEGxp0_001297; orb1684871; SCHEMBL17466763; SCHEMBL29395098
3,4,5-三咖啡酰奎宁酸 · CAS 86632-03-3 · C34H30O15.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,4,5-三咖啡酰奎宁酸