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CAS No.: | 40754-59-4 |
---|---|
Name: | Disodium 4-(2-(2-(2-(dodecyloxy)ethoxy)ethoxy)ethyl) 2-sulphonatosuccinate |
Molecular Structure: | |
Formula: | C22H40Na2O10S |
Molecular Weight: | 542.59 |
Synonyms: | 40754-59-4 |
EINECS: | 255-062-3 |
Density: | 1.165[at 20℃] |
Boiling Point: | 100℃[at 101 325 Pa] |
Solubility: | 120.9μg/L at 25℃ |
PSA: | 159.70000 |
LogP: | 2.63490 |
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This chemical is called Disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate, and its CAS registry number is 40754-59-4. With the molecular formula of C22H40Na2O10S, its molecular weight is 542.59.
Other characteristics of the Disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be summarised as followings: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 154.04 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].[O-]S(=O)(=O)C(C(=O)[O-])CC(=O)OCCOCCOCCOCCCCCCCCCCCC
2.InChI: InChI=1/C22H42O10S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-29-13-14-30-15-16-31-17-18-32-21(23)19-20(22(24)25)33(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2
3.InChIKey: DCDGWRWCFLIAOL-NUQVWONBAT