Cas no 178436-68-5 (1-Benzopyrylium,3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI))
178436-68-5 structure
Product Name:1-Benzopyrylium,3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI)
CAS No:178436-68-5
MF:C15H11ClO8
MW:354.696044206619
CID:112882
PubChem ID:131875147
Update Time:2025-04-18
1-Benzopyrylium,3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Benzopyrylium,3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI)
- 6-HYDROXYDELPHINIDIN
- 6-Hydroxydelphinidin chloride
- 178436-68-5
-
- Inchi： 1S/C15H10O8.ClH/c16-7-1-5(2-8(17)13(7)21)15-10(19)3-6-11(23-15)4-9(18)14(22)12(6)20;/h1-4H,(H6-,16,17,18,19,20,21,22);1H
- InChI Key： PYSCZYSGHGBKKF-UHFFFAOYSA-N
- SMILES： [Cl-].[O+]1C(=C(C=C2C(=C(C(=CC=12)O)O)O)O)C1C=C(C(=C(C=1)O)O)O
Computed Properties
- Exact Mass: 342.9281
- Monoisotopic Mass: 354.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 408
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 143?2
Experimental Properties
- PSA: 150.6
1-Benzopyrylium,3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI) Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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