Cas no 146959-69-5 (Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI))
![Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI) structure](https://ossimg.kuujia.com/scimg/147000/146959-69-5x500.png)
146959-69-5 structure
Product Name:Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI)
CAS No:146959-69-5
MF:C26H45NO7S
MW:515.703007459641
CID:157476
Update Time:2024-03-06
Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI) Chemical and Physical Properties
Names and Identifiers
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- Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI)
- Cholane,ethanesulfonic acid deriv.
- Tauropythocholic acid
- Ethanesulfonic acid, 2-[[(3α,5β,12α,16α)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]- (9CI)
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- Inchi： 1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)24-21(29)13-20-18-6-5-16-12-17(28)8-9-25(16,2)19(18)14-22(30)26(20,24)3/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)
- InChI Key： QMDDMGQMZICJPJ-UHFFFAOYSA-N
- SMILES： CC(C1C2(C(C3C(CC2O)C2(C(CC(CC2)O)CC3)C)CC1O)C)CCC(NCCS(=O)(=O)O)=O
Computed Properties
- Exact Mass: 515.29185
Experimental Properties
- Density: 1.264±0.06 g/cm3(Predicted)
- PSA: 144.16
- pka: 1.42±0.50(Predicted)
Ethanesulfonic acid,2-[[(3a,5b,12a,16a)-3,12,16-trihydroxy-24-oxocholan-24-yl]amino]-(9CI) Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Taurinated bile acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Taurinated bile acids and derivatives
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