Tetrasodium 2-[(carboxylatomethyl)({3-[(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl)(2-sulfonatophenyl)methylidene]-2-methyl-6-oxo-5-(propan-2-yl)cyclohexyl}methyl)amino]acetate
Structure Info
- Chemspace ID
- CSSB02495363048 (In-Stock Building Blocks)
- MFCD
- MFCD00148905
- IUPAC Name
- tetrasodium 2-[(carboxylatomethyl)({3-[(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl)(2-sulfonatophenyl)methylidene]-2-methyl-6-oxo-5-(propan-2-yl)cyclohexyl}methyl)amino]acetate
- Mol formula
- C37H44N2Na4O13S
- Mol weight
- 849 Da
- Catalog Number(s)
- AB76217, ADB34085001, AG003S4H, AJ76217, AOS003S4H, AR003STH, D626681, T65315
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.03
- Heavy atoms count
- 57
- Rotatable bond count
- 17
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.486
- Polar surface area (Å)
- 259
- Hydrogen bond acceptors count
- 15
- Hydrogen bond donors count
- 2
![Chemical structure of Tetrasodium 2-[(carboxylatomethyl)({3-[(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl)(2-sulfonatophenyl)methylidene]-2-methyl-6-oxo-5-(propan-2-yl)cyclohexyl}methyl)amino]acetate (C37H44N2Na4O13S) - CSSB02495363048](/st/structure/200/69295838184d0453ae989d23b5eedf7d/%255BNa%252B%255D.%255BNa%252B%255D.%255BNa%252B%255D.%255BNa%252B%255D.CC%2528C%2529C1CC%2528C%2528C%2529C%2528CN%2528CC%2528%255BO-%255D%2529%253DO%2529CC%2528%255BO-%255D%2529%253DO%2529C1%253DO%2529%253DC%2528C1%253DCC%2528C%2528C%2529C%2529%253DC%2528O%2529C%2528CN%2528CC%2528O%2529%253DO%2529CC%2528%255BO-%255D%2529%253DO%2529%253DC1C%2529C1%253DCC%253DCC%253DC1S%2528%255BO-%255D%2529%2528%253DO%2529%253DO.png "C37H44N2Na4O13S")
- Zoom the structure
- CSSB02495363048
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Titan Scientific | 5 days | China To: | 3 | 5 g | 7.37 | |
| Titan Scientific | 5 days | China To: | 3 | 25 g | 33.44 | |
| Titan Scientific | 5 days | China To: | 3 | 100 g | 120.23 | |
Description: Purity: IND, IND(Indicator Grade); CAS: 1945-77-3 | ||||||
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