Sodium 2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetate
Structure Info
- Chemspace ID
- CSSB02515451281 (In-Stock Building Blocks)
- MFCD
- MFCD00066371
- IUPAC Name
- sodium 2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetate
- Mol formula
- C32H31N2NaO12
- Mol weight
- 659 Da
- Catalog Number(s)
- 1828, 22938, 7593AH, A019097424, AGN-PC-0ODTOX, AGN-PC-0W41ET, CD11085174, FC177049, O274025, T72728, T72728-0.25G, Y6157024
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.79
- Heavy atoms count
- 47
- Rotatable bond count
- 14
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.281
- Polar surface area (Å)
- 225
- Hydrogen bond acceptors count
- 13
- Hydrogen bond donors count
- 5
![Chemical structure of Sodium 2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetate (C32H31N2NaO12) - CSSB02515451281](/st/structure/200/f057b03ae1f0130c2544da6d502355ea/%255BNa%252B%255D.CC1%253DCC%2528%253DCC%2528CN%2528CC%2528O%2529%253DO%2529CC%2528O%2529%253DO%2529%253DC1O%2529C1%2528OC%2528%253DO%2529C2%253DCC%253DCC%253DC12%2529C1%253DCC%2528C%2529%253DC%2528O%2529C%2528CN%2528CC%2528O%2529%253DO%2529CC%2528%255BO-%255D%2529%253DO%2529%253DC1.png "C32H31N2NaO12")
- Zoom the structure
- CSSB02515451281
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Astatech CN | 10 days | China To: | 95 | 250 mg | 101.20 | |
| Astatech CN | 10 days | China To: | 95 | 1 g | 255.20 | |
Description: PHTHALEIN COMPLEXON SODIUM SALT; CAS: 62698-54-8 | ||||||
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