Cas no 82052-74-2 (Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester)
82052-74-2 structure
Product Name:Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester
CAS No:82052-74-2
MF:C26H50O6
MW:458.671609401703
CID:699704
PubChem ID:12892208
Update Time:2025-04-19
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester
- diundecan-6-yl (2R,3R)-2,3-dihydroxybutanedioate
- DTXSID50512441
- 82052-74-2
-
- Inchi： 1S/C26H50O6/c1-5-9-13-17-21(18-14-10-6-2)31-25(29)23(27)24(28)26(30)32-22(19-15-11-7-3)20-16-12-8-4/h21-24,27-28H,5-20H2,1-4H3/t23-,24-/m1/s1
- InChI Key： UIEXEYAHCRFDTJ-DNQXCXABSA-N
- SMILES： O(C([C@@H]([C@H](C(=O)OC(CCCCC)CCCCC)O)O)=O)C(CCCCC)CCCCC
Computed Properties
- Exact Mass: 458.36073931g/mol
- Monoisotopic Mass: 458.36073931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 23
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.2
- Topological Polar Surface Area: 93.1?2
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
82052-74-2 (Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-pentylhexyl) ester) Related Products
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