Cas no 94139-18-1 (Sucrose hexastearate)
Sucrose hexastearate structure
Product Name:Sucrose hexastearate
CAS No:94139-18-1
MF:C120H226O17
MW:1941.06828165054
CID:807372
Update Time:2023-08-03
Sucrose hexastearate Chemical and Physical Properties
Names and Identifiers
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- Sucrose hexastearate
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- Inchi： 1S/C120H226O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-108(122)129-104-107-115(132-110(124)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)118(135-113(127)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)120(136-107,105-130-109(123)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)137-119-117(134-112(126)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)116(114(128)106(103-121)131-119)133-111(125)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h106-107,114-119,121,128H,7-105H2,1-6H3/t106-,107-,114-,115-,116+,117-,118+,119-,120+/m1/s1
- InChI Key： MCBJHHACKTVXNI-WDTUOMDDSA-N
- SMILES： O1[C@H](COC(CCCCCCCCCCCCCCCCC)=O)[C@H]([C@@H]([C@]1(COC(CCCCCCCCCCCCCCCCC)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)OC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1940.685
- Monoisotopic Mass: 1939.682
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 137
- Rotatable Bond Count: 113
- Complexity: 2640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 226
Experimental Properties
- Density: 0.99
- Boiling Point: 1333.7°Cat760mmHg
- Flash Point: 272.4°C
- Refractive Index: 1.5
Sucrose hexastearate Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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