Cas no 7462-38-6 ( )
structure
Product Name:
CAS No:7462-38-6
MF:C20H22O8
MW:390.383886814117
CID:979515
PubChem ID:344921
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- (4-benzoyloxy-1,2,5,6-tetrahydroxyhexan-3-yl) benzoate
- NSC402078
- NSC-402078
- DTXSID60322811
- 7462-38-6
-
-
- Inchi： 1S/C20H22O8/c21-11-15(23)17(27-19(25)13-7-3-1-4-8-13)18(16(24)12-22)28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2
- InChI Key： MZTIRQSLCJMRKT-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C(CO)O)C(C(CO)O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 390.13146766g/mol
- Monoisotopic Mass: 390.13146766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 11
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 134?2
Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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