Cas no 85168-96-3 (1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol)
![1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol structure](https://ossimg.kuujia.com/scimg/85500/85168-96-3x500.png)
85168-96-3 structure
Product Name:1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CAS No:85168-96-3
MF:C69H78O15
MW:1147.34864187241
CID:887330
Update Time:2023-08-03
1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol Chemical and Physical Properties
Names and Identifiers
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- 1,1',1''-[benzene-1,3,5-triyltris(oxy)]tris[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]propan-2-ol]
- 1-[3,5-bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
- 1,1',1''-(Benzene-1,3,5-triyltris(oxy))tris(3-(4-(1-methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)phenoxy)propan-2-ol)
- 1,1',1''-[1,3,5-Benzenetriyltris(oxy)]tris[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]-2-propanol]
- 1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
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- Inchi： 1S/C69H78O15/c1-67(2,49-13-25-58(26-14-49)79-40-64-43-82-64)46-7-19-55(20-8-46)73-34-52(70)37-76-61-31-62(77-38-53(71)35-74-56-21-9-47(10-22-56)68(3,4)50-15-27-59(28-16-50)80-41-65-44-83-65)33-63(32-61)78-39-54(72)36-75-57-23-11-48(12-24-57)69(5,6)51-17-29-60(30-18-51)81-42-66-45-84-66/h7-33,52-54,64-66,70-72H,34-45H2,1-6H3
- InChI Key： LUJXRCDTCHTUOW-UHFFFAOYSA-N
- SMILES： O1CC1COC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)OCC(COC1C=C(C=C(C=1)OCC(COC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)OCC1CO1)O)OCC(COC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)OCC1CO1)O)O
Computed Properties
- Exact Mass: 1146.534
- Monoisotopic Mass: 1146.534
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 84
- Rotatable Bond Count: 33
- Complexity: 1640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 181
Experimental Properties
- Density: 1.23
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.598
1-[3,5-Bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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