2-[(4R,5S,7R,25R,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
Structure Info
- Chemspace ID
- CSSB02125553454 (In-Stock Building Blocks)
- MFCD
- MFCD09264640
- IUPAC Name
- 2-[(4R,5S,7R,25R,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
- Mol formula
- C41H30O27
- Mol weight
- 955 Da
- Catalog Number(s)
- 23094-71-5, 300064, 9150AF, ACM23094715, AG00BF7A, AGN-PC-0QZK5A, AP23094715, B1370-300064, E80601, Y1055048
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.3
- Heavy atoms count
- 68
- Rotatable bond count
- 5
- Number of rings
- 8
- Carbon bond saturation, Fsp3
- 0.243
- Polar surface area (Å)
- 447
- Hydrogen bond acceptors count
- 21
- Hydrogen bond donors count
- 13
![Chemical structure of 2-[(4R,5S,7R,25R,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid (C41H30O27) - CSSB02125553454](/st/structure/200/fd890cebc4c1585a1fec21a3ec02a5d2/O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529O%255BC%2540%2540H%255D3%255BC%2540H%255D4COC%2528%253DO%2529C5%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC5C5%253DC%2528O%2529C%2528O%2529%253DC%2528O%2529C%253DC5C%2528%253DO%2529O%255BC%2540H%255D3%255BC%2540%2540H%255D%2528OC%2528%253DO%2529C3%253DCC%2528O%2529%253DC%2528O%2529C%2528OC1%253DO%2529%253DC23%2529%255BC%2540H%255D%2528OC%2528%253DO%2529C1%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC1%2529O4.png "C41H30O27")
- Zoom the structure
- CSSB02125553454
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BOC Sciences | 24 days | United States To: | 95 | 50 mg | 437.80 | |
Description: CAS: 23094-71-5 | ||||||
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Similarity Analogs
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