1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[5-(Furan-2-ylmethylsulfanyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference12442

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296042

Formula: C20H18F3N5O5S

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 470
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 12:58:54 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H18F3N5O5S/c21-20(22,23)11-3-1-4-12(7-11)24-19(29)33-15-9-32-16-14(8-31-17(15)16)28-18(25-26-27-28)34-10-13-5-2-6-30-13/h1-7,14-17H,8-10H2,(H,24,29)/t14-,15+,16+,17+/m0/s1
InChI Key JDNYOSCBGBZZSE-YLFCFFPRSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)N4C(=NN=N4)SCC5=CC=CO5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296042

In Other Databases

ChemSpider 10060335
PubChem 11886012