Cas no 26264-35-7 (D-glucitol tristearate)
D-glucitol tristearate structure
Product Name:D-glucitol tristearate
CAS No:26264-35-7
MF:C60H116O9
MW:981.557661056519
CID:914371
PubChem ID:73759949
Update Time:2025-04-19
D-glucitol tristearate Chemical and Physical Properties
Names and Identifiers
-
- D-glucitol tristearate
- [(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-di(octadecanoyloxy)hexyl] octadecanoate
- 26264-35-7
- EINECS 247-559-9
- BDQRVGGFQXINNW-RYNSOKOISA-N
-
- Inchi： 1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-53-55(68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(59(66)54(62)52-61)69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-62,66H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1
- InChI Key： BDQRVGGFQXINNW-RYNSOKOISA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 980.86193527g/mol
- Monoisotopic Mass: 980.86193527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 69
- Rotatable Bond Count: 59
- Complexity: 1080
- 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: 23.3
- Topological Polar Surface Area: 140?2
D-glucitol tristearate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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