Methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate
Structure Info
- Chemspace ID
- CSSB00159268046 (In-Stock Building Blocks)
- IUPAC Name
- methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate
- Mol formula
- C24H30O14
- Mol weight
- 542 Da
- Catalog Number(s)
- 36284, AA000VL2, AA40834, AG305692, AR000WCU, CSC159268046, EBC-618432, HY-N0631, LP008623, M17939, N1926, PBMR1769468, SAB-099018, T4S2326
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.06
- Heavy atoms count
- 38
- Rotatable bond count
- 11
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 222
- Hydrogen bond acceptors count
- 12
- Hydrogen bond donors count
- 7
![Chemical structure of Methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate (C24H30O14) - CSSB00159268046](/st/structure/200/3f8ce460b9f57683a04732ad4f90de33/COC%2528%253DO%2529C1%253DCOC%2528OC2OC%2528CO%2529C%2528O%2529C%2528O%2529C2O%2529C%2528C%253DC%2529C1CCOC%2528%253DO%2529C1%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC1.png "C24H30O14")
- Zoom the structure
- CSSB00159268046
Items Overall 4 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 100 mg | 300.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 250 mg | 525.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 500 mg | 835.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 1 g | 1,350.00 | |
Description: CAS: 131189-57-6 | ||||||
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Substructure Analogs
![Chemical structure of methyl (2R,3S,4R)-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate - CSSB00020666833](/st/structure/200/741674442ee7ec2c7246002ef083308a/COC%2528%253DO%2529C1%253DCO%255BC%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%255BC%2540%2540H%255D%2528C%253DC%2529%255BC%2540H%255D1CCOC%2528%253DO%2529C1%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC1.png)
![Chemical structure of methyl (2S,3R,4S)-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate - CSSB00102630044](/st/structure/200/ebd6aa0b8c8db847817e41bca0a9ac72/COC%2528%253DO%2529C1%253DCO%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%255BC%2540H%255D%2528C%253DC%2529%255BC%2540%2540H%255D1CCOC%2528%253DO%2529C1%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC1.png)
Similarity Analogs
![Chemical structure of methyl (2S,3R,4S)-3-ethenyl-4-[2-(2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate - CSSB00159262561](/st/structure/200/f22f3b0990d8efe48fd7ca17023fb7d7/COC%2528%253DO%2529C1%253DCO%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%255BC%2540H%255D%2528C%253DC%2529%255BC%2540%2540H%255D1CCOC%2528%253DO%2529C1%253DCC%253DCC%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%253DC1O.png)
![Chemical structure of methyl (2S,3R)-3-ethenyl-4-[2-(2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate - CSSB14945337349](/st/structure/200/f47daf2f0d5d0243ea226b1233911aae/COC%2528%253DO%2529C1%253DCO%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%255BC%2540H%255D%2528C%253DC%2529C1CCOC%2528%253DO%2529c1cccc%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529c1O.png)
![Chemical structure of (3S,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl 3,4,5-trihydroxybenzoate - CSSB06256043783](/st/structure/200/edf51d378885d1b4d5c75568a9d852dc/OC%255BC%2540H%255D1O%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2OC%253DC3%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528OC%2528%253DO%2529c4cc%2528O%2529c%2528O%2529c%2528O%2529c4%2529OC3%253DO%2529%255BC%2540H%255D2C%253DC%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D1O.png)
![Chemical structure of (3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl 3,4,5-trihydroxybenzoate - CSSB06256043788](/st/structure/200/140771a90b60100ef8fa0b35dccb0dbe/OC%255BC%2540H%255D1O%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2OC%253DC3%255BC%2540%2540H%255D%2528C%255BC%2540H%255D%2528OC%2528%253DO%2529c4cc%2528O%2529c%2528O%2529c%2528O%2529c4%2529OC3%253DO%2529%255BC%2540H%255D2C%253DC%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D1O.png)
![Chemical structure of methyl (2S,3R,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate - CSSB00159261916](/st/structure/200/aab0a0c2e5388a2b3765c2532767965e/COC%2528%253DO%2529C1%253DCO%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529%255BC%2540H%255D%2528C%253DC%2529%255BC%2540%2540H%255D1CC%2528%253DO%2529OCCC1%253DCC%253DC%2528O%2529C%2528O%2529%253DC1.png)
