Cas no 13407-62-0 (Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI))
13407-62-0 structure
Product Name:Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI)
CAS No:13407-62-0
MF:C14H18O7S
MW:330.353523731232
CID:237587
PubChem ID:255924
Update Time:2025-04-19
Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI)
- (E)-3-{3-[2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-3-oxo-propionic acid methyl ester
- A-oxo-, methyl ester
- BEN472
- Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-
- methyl 3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropanoate
- methyl-[E]-3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropanoate
- SureCN4416752
- NSC82033
- 13407-62-0
- DTXSID20928414
- Methyl 3,6-anhydro-2-O-(4-methylbenzene-1-sulfonyl)hexopyranoside
- NSC-82033
-
- Inchi： 1S/C14H18O7S/c1-8-3-5-9(6-4-8)22(16,17)21-13-12-11(15)10(7-19-12)20-14(13)18-2/h3-6,10-15H,7H2,1-2H3
- InChI Key： SNGVHYGCQOEARP-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC1C(OC)OC2COC1C2O
Computed Properties
- Exact Mass: 330.07734
- Monoisotopic Mass: 330.07732408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 480
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 99.7?2
Experimental Properties
- PSA: 91.29
Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
13407-62-0 (Glucopyranoside,methyl 3,6-anhydro-, 2-p-toluenesulfonate, a-D- (8CI)) Related Products
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