Cas no 149707-76-6 (C36H28Cl3NO10)
C36H28Cl3NO10 structure
Product Name:C36H28Cl3NO10
CAS No:149707-76-6
MF:C36H28Cl3NO10
MW:740.967227935791
CID:4736024
Update Time:2023-08-16
C36H28Cl3NO10 Chemical and Physical Properties
Names and Identifiers
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- C36H28Cl3NO10
- W0111
- 2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl trichloroacetimidate
- 1-Imino-2,2,2-trichloroethyl 2-O,3-O,4-O,6-O-tetrabenzoyl-beta-D-glucopyranoside
- (2R,3R,4S,5R,6S)-2-((Benzoyloxy)methyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
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- Inchi： 1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26-,27-,28+,29-,34+/m1/s1
- InChI Key： KTHFOWIANASXOK-RZDXDWDHSA-N
- SMILES： ClC(C(=N)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(C2C=CC=CC=2)=O)O1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)(Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 50
- Rotatable Bond Count: 15
- Complexity: 1170
- XLogP3: 9.2
- Topological Polar Surface Area: 148
C36H28Cl3NO10 Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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