Cas no 94031-22-8 (Sucrose tetralaurate)
Sucrose tetralaurate structure
Product Name:Sucrose tetralaurate
CAS No:94031-22-8
MF:C60H110O15
MW:1071.50642156601
CID:813124
Update Time:2023-08-03
Sucrose tetralaurate Chemical and Physical Properties
Names and Identifiers
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- Sucrose tetralaurate
- [(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dodecanoate
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- Inchi： 1S/C60H110O15/c1-5-9-13-17-21-25-29-33-37-41-50(62)69-46-49-57(72-52(64)43-39-35-31-27-23-19-15-11-7-3)58(73-53(65)44-40-36-32-28-24-20-16-12-8-4)60(74-49,75-59-56(68)55(67)54(66)48(45-61)71-59)47-70-51(63)42-38-34-30-26-22-18-14-10-6-2/h48-49,54-59,61,66-68H,5-47H2,1-4H3/t48-,49-,54-,55+,56-,57-,58+,59-,60+/m1/s1
- InChI Key： AGKBDNTTZPNFSG-SSRCRYROSA-N
- SMILES： O1[C@H](COC(CCCCCCCCCCC)=O)[C@H]([C@@H]([C@]1(COC(CCCCCCCCCCC)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1070.784
- Monoisotopic Mass: 1070.784
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 75
- Rotatable Bond Count: 53
- Complexity: 1430
- 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: 214
Experimental Properties
- Density: 1.08
- Boiling Point: 969.3°Cat760mmHg
- Flash Point: 246.3°C
- Refractive Index: 1.51
Sucrose tetralaurate 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
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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