Cas no 1333-71-7 (D-Glucitol, tri-(9Z)-9-octadecenoate)
1333-71-7 structure
Product Name:D-Glucitol, tri-(9Z)-9-octadecenoate
CAS No:1333-71-7
MF:C60H110O9
MW:975.51002073288
CID:174032
PubChem ID:6436310
Update Time:2025-04-19
D-Glucitol, tri-(9Z)-9-octadecenoate Chemical and Physical Properties
Names and Identifiers
-
- D-Glucitol, tri-(9Z)-9-octadecenoate
- [(2S,3R,4S,5R)-2,3,4-trihydroxy-5,6-bis[[(Z)-octadec-9-enoyl]oxy]hexyl] (Z)-octadec-9-enoate
- D-glucitol trioleate
- 1,2,3-tri-O--(9Z)-octadec-9-enoyl-D-glucitol
- 1,5,6-tri-O--(9Z)-octadec-9-enoyl-D-glucitol
- Span 8s
- Sorbitol trioleate
- tris-9-octadecenoate, (Z,Z,Z)-D-Glucitol
- EINECS 215-603-6
- 1333-71-7
-
- Inchi： 1S/C60H110O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)67-52-54(61)59(65)60(66)55(69-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-68-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61,65-66H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59+,60+/m0/s1
- InChI Key： AYVAETAZELCLHP-ADSICKODSA-N
- SMILES： O(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H]([C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)O)O
Computed Properties
- Exact Mass: 974.8154
- Monoisotopic Mass: 974.814985
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 69
- Rotatable Bond Count: 56
- Complexity: 1210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 140
- XLogP3: 20.5
Experimental Properties
- Density: 0.971
- Boiling Point: 915.2°Cat760mmHg
- Flash Point: 231°C
- Refractive Index: 1.489
- PSA: 139.59
D-Glucitol, tri-(9Z)-9-octadecenoate Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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