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Tetrasodium 4-acetamido-5-hydroxy-6-({7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-1,7-naphthalenedisulfonate Tetrasodium 1-acetamido-2-hydroxy-3-[4-[(4-sulphonatophenylazo)-7-sulphonato-1-naphthyl]azo]naphthalene-4,6-disulphonate 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-6-[2-[7-sulfo-4-[2-(4-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
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Molecular formula C28H17N5Na4O14S4
Molecular weight 867.679
Accurate quality 866.924561
PSA 361.09000
LogP 8.50040
Appearance character solid; Dark green to Dark red to Black powder to crystal
Storage conditions The warehouse is ventilated and dry at low temperature
Water solubility: soluble; Slightly soluble: ethanol
Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond receptors: 18
4. Number of rotatable bonds: 5
5. Number of tautomers: 21
6. Topological molecular polar surface area (TPSA) : 324
7. Number of heavy atoms: 55
8. Surface charge: 0
9. Complexity: 1850
10. Number of isotope atoms: 0
11. Determine the number of atomic constitutive centers: 0
12. Number of uncertain atomic constitutive centers: 0
13. Determine the number of chemical bond structure centers: 1
14. Number of uncertain chemical bond structure centers: 0
15. Number of covalent bond units: 5
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