Cas no 29780-99-2 (D-Glucitol,2,3,4,5-tetraoctadecanoate (9CI))
29780-99-2 structure
Product Name:D-Glucitol,2,3,4,5-tetraoctadecanoate (9CI)
CAS No:29780-99-2
MF:C78H150O10
MW:1248.01962709427
CID:289713
PubChem ID:56842249
Update Time:2025-04-19
D-Glucitol,2,3,4,5-tetraoctadecanoate (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-Glucitol,2,3,4,5-tetraoctadecanoate (9CI)
- [(2S,3R,4R,5R)-1,6-dihydroxy-3,4,5-tri(octadecanoyloxy)hexan-2-yl] octadecanoate
- [(1S,2R,3R,4R)-5-hydroxy-1-(hydroxymethyl)-2,3,4-tri(octadecanoyloxy)pentyl] octadecanoate
- 2,3,4,5-Tetrastearoyl-D-glucitol
- EINECS 249-845-9
- NS00028777
- DTXSID70183935
- 29780-99-2
-
- Inchi： 1S/C78H150O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-71(69-79)77(87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72(70-80)86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h71-72,77-80H,5-70H2,1-4H3/t71-,72+,77-,78-/m1/s1
- InChI Key： CRAKAGLZBUZDON-XJKNBGGJSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)[C@H]([C@H](CO)OC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@@H](CO)OC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1247.12290098g/mol
- Monoisotopic Mass: 1247.12290098g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 88
- Rotatable Bond Count: 77
- Complexity: 1350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 32.3
- Topological Polar Surface Area: 146?2
D-Glucitol,2,3,4,5-tetraoctadecanoate (9CI) Related Literature
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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