6-{4-[(3-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-[methyl(2-sulfoethyl)carbamoyl]phenyl}-2,2,4,8,10,10-hexamethyl-14-sulfo-2,3,4,8,9,10-hexahydro-1H-13-oxa-1,11-diazapentacen-11-ium-12-sulfonate
Structure Info
- Chemspace ID
- CSSB06645150715 (In-Stock Building Blocks)
- IUPAC Name
- 6-{4-[(3-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-[methyl(2-sulfoethyl)carbamoyl]phenyl}-2,2,4,8,10,10-hexamethyl-14-sulfo-2,3,4,8,9,10-hexahydro-1H-13-oxa-1,11-diazapentacen-11-ium-12-sulfonate
- Mol formula
- C54H55N5O13S3
- Mol weight
- 1078 Da
- Catalog Number(s)
- AP12543, BP-28138
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.24
- Heavy atoms count
- 75
- Rotatable bond count
- 11
- Number of rings
- 9
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 271
- Hydrogen bond acceptors count
- 14
- Hydrogen bond donors count
- 5
![Chemical structure of 6-{4-[(3-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-[methyl(2-sulfoethyl)carbamoyl]phenyl}-2,2,4,8,10,10-hexamethyl-14-sulfo-2,3,4,8,9,10-hexahydro-1H-13-oxa-1,11-diazapentacen-11-ium-12-sulfonate (C54H55N5O13S3) - CSSB06645150715](/st/structure/200/d27d9b0533ec98994d7787a515b98836/CC1CC%2528C%2529%2528C%2529Nc2c1cc1C%2528c3ccc%2528cc3C%2528%253DO%2529N%2528C%2529CCS%2528O%2529%2528%253DO%2529%253DO%2529C%2528%253DO%2529NCCC%2528%253DO%2529N3Cc4ccccc4C%2523Cc4ccccc34%2529%253Dc3cc4C%2528C%2529CC%2528C%2529%2528C%2529%255BNH%252B%255D%253Dc4c%2528c3Oc1c2S%2528O%2529%2528%253DO%2529%253DO%2529S%2528%255BO-%255D%2529%2528%253DO%2529%253DO.png "C54H55N5O13S3")
- Zoom the structure
- CSSB06645150715
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Broadpharm | 20 days | United States To: | 90 | 1 mg | 180.40 | |
| Broadpharm | 20 days | United States To: | 90 | 5 mg | 474.10 | |
| Broadpharm | 20 days | United States To: | 90 | 25 mg | 1,556.50 | |
Description: MB 543 DBCO; CAS: 2563610-26-2 | ||||||
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