Cas no 6344-46-3 (methyl 2,3,6-tri-O-benzoylhexopyranoside)
6344-46-3 structure
Product Name:methyl 2,3,6-tri-O-benzoylhexopyranoside
CAS No:6344-46-3
MF:C28H26O9
MW:506.500648975372
CID:1652114
Update Time:2023-03-25
methyl 2,3,6-tri-O-benzoylhexopyranoside Chemical and Physical Properties
Names and Identifiers
-
- methyl 2,3,6-tri-O-benzoylhexopyranoside
-
- Inchi： 1S/C28H26O9/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28-29H,17H2,1H3
- InChI Key： WXFFEILSURAFKL-UHFFFAOYSA-N
- SMILES： COC1OC(COC(C2C=CC=CC=2)=O)C(O)C(OC(C2C=CC=CC=2)=O)C1OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 506.158
- Monoisotopic Mass: 506.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 37
- Rotatable Bond Count: 11
- Complexity: 753
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.35
- Boiling Point: 666.2°C at 760 mmHg
- Flash Point: 220.3°C
- Refractive Index: 1.616
- PSA: 117.59000
- LogP: 3.02680
methyl 2,3,6-tri-O-benzoylhexopyranoside Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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