Cas no 127-38-8 (Butanedioic acid,2-sulfo-, 1,4-bis(2-methylpentyl) ester, sodium salt (1:1))
127-38-8 structure
Product Name:Butanedioic acid,2-sulfo-, 1,4-bis(2-methylpentyl) ester, sodium salt (1:1)
CAS No:127-38-8
MF:C16H29NaO7S
MW:388.452035665512
CID:217830
PubChem ID:23696729
Update Time:2025-04-19
Butanedioic acid,2-sulfo-, 1,4-bis(2-methylpentyl) ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-sulfo-, 1,4-bis(2-methylpentyl) ester, sodium salt (1:1)
- sodium 1,4-bis(2-methylpentyl) sulphonatosuccinate
- sodium,1,4-bis(2-methylpentoxy)-1,4-dioxobutane-2-sulfonate
- sodium 1,4-bis[(2-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonate
- Sodiosulfobutanedioic acid bis(2-methylpentyl) ester
- SCHEMBL10385633
- sodium;1,4-bis(2-methylpentoxy)-1,4-dioxobutane-2-sulfonate
- NS00041548
- DTXSID30925757
- EINECS 204-837-4
- 127-38-8
-
- Inchi： 1S/C16H30O7S.Na/c1-5-7-12(3)10-22-15(17)9-14(24(19,20)21)16(18)23-11-13(4)8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1
- InChI Key： QTGATPJBZFHQSF-UHFFFAOYSA-M
- SMILES： S(C(C(=O)OCC(C)CCC)CC(=O)OCC(C)CCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 388.15327
- Monoisotopic Mass: 388.15316872g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 487
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 109.8
Butanedioic acid,2-sulfo-, 1,4-bis(2-methylpentyl) ester, sodium salt (1:1) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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