Cas no 334475-78-4 (3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 6-Chloro)
334475-78-4 structure
Product Name:3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 6-Chloro
CAS No:334475-78-4
MF:C15H13ClO6
MW:324.713124036789
CID:6716986
Update Time:2024-03-03
3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 6-Chloro Chemical and Physical Properties
Names and Identifiers
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- (-)-6-Chloroepicatechin
- 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 6-Chloro
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- Inchi： 1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
- InChI Key： BHTBHJNGFQRAJI-UHFFFAOYSA-N
- SMILES： OC1C(C2C=C(O)C(O)=CC=2)OC2C(=C(C(=C(C=2)O)Cl)O)C1
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- XLogP3: 1.161
3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 6-Chloro Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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