Cas no 220736-88-9 (5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-)
220736-88-9 structure
Product Name:5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-
5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-
- BM 2419-1
- BM 2419-DP
- BM-2419-1
- CHEBI:214837
- SCHEMBL8377685
- 220736-88-9
- DTXSID901243462
- 1,3,6,8,10,11-hexahydroxytetracene-5,12-dione
- 1,3,6,8,10,11-Hexahydroxy-5,12-naphthacenedione
-
- Inchi: 1S/C18H10O8/c19-5-1-7-11(9(21)3-5)17(25)14-13(15(7)23)16(24)8-2-6(20)4-10(22)12(8)18(14)26/h1-4,19-23,25H
- InChI Key: PHYUQMBGSCMYTB-UHFFFAOYSA-N
- SMILES: C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=C2C(C=C(O)C=C2O)=C3O)=CC(O)=C1
Computed Properties
- Exact Mass: 354.03756727g/mol
- Monoisotopic Mass: 354.03756727g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 0
- Complexity: 608
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 156?2
5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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