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CAS NO.129-46-4
100%(1-50)Kilogram100%(50-100)Kilogram
Physicochemical properties
Molecular formula: C51H34N6Na6O23S6
Molecular formula: 1429.171
Exact mass formula: 1427.938599
PSA type: 551.01000
LogP: 11.61040
Appearance traits: white
Storage conditions: 0-6°C
Water solubility: soluble
Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 23
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: 155
6. Topological molecular polar surface area 551
7. Number of heavy atoms: 92
8.Surface charge: 0
9.Complexity: 2940
10. Number of isotope atoms: 0
11.Determine the number of atomic stereo centers: 0
12. Uncertain the number of atomic stereo centers: 0
13. Determine the number of chemical bond stereo centers: 0
14. Uncertain the number of chemical bond stereo centers: 0
15.Number of covalent bond units: 7