Cas no 94031-16-0 (D-Glucitol pentalaurate)
D-Glucitol pentalaurate structure
Product Name:D-Glucitol pentalaurate
CAS No:94031-16-0
MF:C66H124O11
MW:1093.68418312073
CID:811853
PubChem ID:44151156
Update Time:2025-04-19
D-Glucitol pentalaurate Chemical and Physical Properties
Names and Identifiers
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- D-Glucitol pentalaurate
- [(2S,3R,4R,5R)-2,3,4,5-tetra(dodecanoyloxy)-6-hydroxyhexyl] dodecanoate
- 94031-16-0
- EINECS 301-721-6
- DTXSID80240341
- NS00039936
-
- Inchi： 1S/C66H124O11/c1-6-11-16-21-26-31-36-41-46-51-60(68)73-57-59(75-62(70)53-48-43-38-33-28-23-18-13-8-3)66(77-64(72)55-50-45-40-35-30-25-20-15-10-5)65(76-63(71)54-49-44-39-34-29-24-19-14-9-4)58(56-67)74-61(69)52-47-42-37-32-27-22-17-12-7-2/h58-59,65-67H,6-57H2,1-5H3/t58-,59+,65-,66-/m1/s1
- InChI Key： IZKIAWVEBPKWDU-KMFICJIMSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)[C@H]([C@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)[C@@H]([C@@H](CO)OC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1092.91436477g/mol
- Monoisotopic Mass: 1092.91436477g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 77
- Rotatable Bond Count: 65
- Complexity: 1340
- 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: 25.1
- Topological Polar Surface Area: 152?2
D-Glucitol pentalaurate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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