Cas no 74542-16-8 (b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate])
![b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate] structure](https://ossimg.kuujia.com/scimg/75000/74542-16-8x500.png)
74542-16-8 structure
Product Name:b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate]
CAS No:74542-16-8
MF:C12H23NO11S3
MW:453.506120920181
CID:556898
PubChem ID:656541
Update Time:2025-04-19
b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate] Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate]
- 4-Methylsulfonylbutylglucosinolate
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfonyl-N-sulfooxypentanimidothioate
- C08410
- Glucoerysolin (4-Methylsulfonylbutyl-GS)
- 1-S-[5-(Methanesulfonyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose
- 4-Methylsulfonylbutyl glucosinolate
- 74542-16-8
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 5-methylsulfonyl-N-sulfooxy-pentanimidothioate
- NS00094472
- 5-mesyl-N-sulfoxy-thiovalerimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
- DTXSID10996066
-
- Inchi： 1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/b13-8+
- InChI Key： WJMGSLJQEIYHOF-MDWZMJQESA-N
- SMILES： CS(CCCC/C(=N\OS(=O)(=O)O)/SC1C(O)C(O)C(O)C(CO)O1)(=O)=O
Computed Properties
- Exact Mass: 452.035
- Monoisotopic Mass: 452.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 684
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 245A^2
- XLogP3: -1.8
b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate] Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
74542-16-8 (b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate]) Related Products
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