(1R,2S,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2S)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-48-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
Structure Info
- Chemspace ID
- CSSB03496540674 (In-Stock Building Blocks)
- IUPAC Name
- (1R,2S,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2S)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-48-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
- Mol formula
- C59H62Cl2N8O22
- Mol weight
- 1306 Da
- Catalog Number(s)
- ACM101485501, APB101485501, B2694-260492
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -4
- Heavy atoms count
- 91
- Rotatable bond count
- 11
- Number of rings
- 9
- Carbon bond saturation, Fsp3
- 0.355
- Polar surface area (Å)
- 486
- Hydrogen bond acceptors count
- 21
- Hydrogen bond donors count
- 18
![Chemical structure of (1R,2S,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2S)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-48-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid (C59H62Cl2N8O22) - CSSB03496540674](/st/structure/200/cb85f857cd63e20ad8582dba7dba9e6b/CN%255BC%2540%2540H%255D%2528CC%2528C%2529C%2529C%2528%253DO%2529N%255BC%2540%2540H%255D1%255BC%2540H%255D%2528O%2529C2%253DCC%253DC%2528OC3%253DCC4%253DCC%2528OC5%253DCC%253DC%2528C%253DC5Cl%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D5NC%2528%253DO%2529%255BC%2540H%255D%2528NC%2528%253DO%2529%255BC%2540%2540H%255D4NC%2528%253DO%2529%255BC%2540H%255D%2528CC%2528N%2529%253DO%2529NC1%253DO%2529C1%253DCC%253DC%2528O%2529C%2528%253DC1%2529C1%253DC%2528O%2529C%253DC%2528O%2529C%253DC1%255BC%2540H%255D%2528NC5%253DO%2529C%2528O%2529%253DO%2529%253DC3OC1OC%2528CO%2529C%2528O%2529C%2528O%2529C1O%2529C%2528Cl%2529%253DC2.png "C59H62Cl2N8O22")
- Zoom the structure
- CSSB03496540674
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BOC Sciences | 24 days | United States To: | 95 | 5 mg | 921.80 | |
Description: CAS: 101485-50-1 | ||||||
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