Cas no 52551-46-9 (D-Glucitol tetraoleate)
D-Glucitol tetraoleate structure
Product Name:D-Glucitol tetraoleate
CAS No:52551-46-9
MF:C78H142O10
MW:1239.95610666275
CID:378765
PubChem ID:85470753
Update Time:2025-04-19
D-Glucitol tetraoleate Chemical and Physical Properties
Names and Identifiers
-
- D-Glucitol tetraoleate
- [(2S,3R,4R,5R)-5,6-dihydroxy-2,3,4-tris[[(Z)-octadec-9-enoyl]oxy]hexyl] (Z)-octadec-9-enoate
- EINECS 258-001-9
- NS00058038
- 52551-46-9
-
- Inchi： 1S/C78H142O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-70-72(86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)77(71(80)69-79)87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h33-40,71-72,77-80H,5-32,41-70H2,1-4H3/b37-33-,38-34-,39-35-,40-36-/t71-,72+,77-,78-/m1/s1
- InChI Key： JKLYYAZFORVFMK-HRCGDSDKSA-N
- SMILES： O(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)[C@@H]([C@@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 1239.06030072g/mol
- Monoisotopic Mass: 1239.06030072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 88
- Rotatable Bond Count: 73
- Complexity: 1640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- XLogP3: 28.6
- Topological Polar Surface Area: 146?2
Experimental Properties
- Density: 0.953
- Boiling Point: 1029.4°Cat760mmHg
- Flash Point: 239.6°C
- Refractive Index: 1.486
D-Glucitol tetraoleate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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