Cas no 94031-23-9 (Sucrose trilaurate)
Sucrose trilaurate structure
Product Name:Sucrose trilaurate
CAS No:94031-23-9
MF:C48H88O14
MW:889.203937530518
CID:808473
Update Time:2023-08-03
Sucrose trilaurate Chemical and Physical Properties
Names and Identifiers
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- Sucrose trilaurate
- [(2S,3S,4R,5R)-3,4-di(dodecanoyloxy)-5-(hydroxymethyl)-2-[(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/C48H88O14/c1-4-7-10-13-16-19-22-25-28-31-39(51)57-36-48(62-47-44(56)43(55)42(54)37(34-49)58-47)46(60-41(53)33-30-27-24-21-18-15-12-9-6-3)45(38(35-50)61-48)59-40(52)32-29-26-23-20-17-14-11-8-5-2/h37-38,42-47,49-50,54-56H,4-36H2,1-3H3/t37-,38-,42-,43+,44-,45-,46+,47-,48+/m1/s1
- InChI Key： NJWPTAJOXLJZHJ-XQAXEFKXSA-N
- SMILES： O1[C@H](CO)[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
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 62
- Rotatable Bond Count: 41
- Complexity: 1160
- Topological Polar Surface Area: 208
Sucrose trilaurate Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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