(2E)-3-[(7S)-7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl]prop-2-enoic acid
Structure Info
- Chemspace ID
- CSSB03549787780 (In-Stock Building Blocks)
- MFCD
- MFCD00238645
- IUPAC Name
- (2E)-3-[(7S)-7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl]prop-2-enoic acid
- Mol formula
- C21H16O9
- Mol weight
- 412 Da
- Catalog Number(s)
- 58958-07-9, AA00EIJC, ACM58958079, BIA-M2969, FM07089, HY-126071, LN04683727, ST00EK2W, TN13112, TX00EJRS, Y4169114
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.22
- Heavy atoms count
- 30
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.142
- Polar surface area (Å)
- 147
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 3
![Chemical structure of (2E)-3-[(7S)-7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl]prop-2-enoic acid (C21H16O9) - CSSB03549787780](/st/structure/200/98390900a28674f0a839957f821a1528/Cc1cc%2528O%2529cc%2528O%2529c1C%2528%253DO%2529O%255BC%2540%2540%255D1%2528C%2529C%2528%253DO%2529C%253DC2C%253DC%2528OC%253DC2C1%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO.png "C21H16O9")
- Zoom the structure
- CSSB03549787780
Items Overall 8 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 14 days | China To: | 90 | 1 mg | 335.50 | |
| 1st Scientific CN | 14 days | China To: | 90 | 5 mg | 1,130.80 | |
| 1st Scientific CN | 14 days | China To: | 90 | 10 mg | 1,581.80 | |
| 1st Scientific CN | 14 days | China To: | 90 | 25 mg | 2,394.70 | |
Description: (-)-Mitorubrinic acid; CAS: 58958-07-9 | ||||||
| 1st Scientific LLC | 14 days | United States To: | 90 | 1 mg | 335.50 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 5 mg | 1,130.80 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 1,581.80 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 25 mg | 2,394.70 | |
Description: (-)-Mitorubrinic acid; CAS: 58958-07-9 | ||||||
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