Cas no 93839-92-0 ([S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate)
![[S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate structure](https://ossimg.kuujia.com/scimg/94000/93839-92-0x500.png)
93839-92-0 structure
Product Name:[S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate
CAS No:93839-92-0
MF:C20H32N2O12S3
MW:588.669282913208
CID:1000186
Update Time:2023-11-18
[S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate Chemical and Physical Properties
Names and Identifiers
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- [S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate
- [(1S)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]azanium,sulfate
- Sulfuric acid--2-amino-1-[4-(methanesulfonyl)phenyl]propane-1,3-diol (1/2)
- CID 138397410
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- Inchi： 1S/2C10H15NO4S.H2O4S/c2*1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;1-5(2,3)4/h2*2-5,9-10,12-13H,6,11H2,1H3;(H2,1,2,3,4)/t2*9?,10-;/m00./s1
- InChI Key： JHOPAAUVEUYURN-VUCLGOSDSA-N
- SMILES： S(C)(C1C=CC(=CC=1)[C@@H](C(CO)N)O)(=O)=O.S(C)(C1C=CC(=CC=1)[C@@H](C(CO)N)O)(=O)=O.S(=O)(=O)(O)O
Computed Properties
- Exact Mass: 588.112
- Monoisotopic Mass: 588.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 37
- Rotatable Bond Count: 8
- Complexity: 385
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 301
[S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
93839-92-0 ([S-(R*,R*)]-bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium] sulphate) Related Products
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