(1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid (CAS 5746-55-4) — formula C16H18O8, molecular weight 338.31; category organic chemicals.
| CAS Number | 5746-55-4 |
|---|---|
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.31 |
| LogP | -0.1 |
| Category | Organic Chemicals |
(1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid is a carbon-based organic compound with CAS registry number 5746-55-4 and molecular formula C16H18O8 (molecular weight 338.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5746-55-4
Its molecular formula C16H18O8 comprises 16 C, 18 H, 8 O atoms.
Also known as: (1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid · 3-O-对香豆酰基奎宁酸
Category: organic chemicals
The CAS registry number of (1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid is 5746-55-4.
Molecular formula C16H18O8, molecular weight 338.31.
It is also registered under: (1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid, 3-O-对香豆酰基奎宁酸.
Category: Organic Chemicals.
Independent reference data for (1R,3S,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid (CAS 5746-55-4), compiled from public chemistry databases.
| CAS 号 | 5746-55-4 |
|---|---|
| PubChem CID | 6441280 |
| 分子式 | C16H18O8 |
| IUPAC 名称 | (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid |
| UNII（FDA） | 4C4BU5688G |
| Molecular Weight | 338.31 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 338.10016753 |
| Monoisotopic Mass | 338.10016753 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 24 |
5746-55-4; 2-Coumaroylquinic acid; 5-O-(E)-p-Coumaroylquinic acid; 1899-30-5; trans-5-O-(4-coumaroyl)-D-quinic acid; p-Coumaroyl quinic acid; 3-O-p-Coumaroylquinic acid; (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid; o-Coumaroylquinic acid; 4C4BU5688G; (1R,3S,4R,5S)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]OXY-CYCLOHEXANE-1-CARBOXYLIC ACID; (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid; (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid; 3-O-Coumaroylquinic acid; UNII-4C4BU5688G; Coumaroylquinic acid
3-O-对香豆酰基奎宁酸 · CAS 5746-55-4 · C16H18O8. UNII 4C4BU5688G.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-O-对香豆酰基奎宁酸