1,4:3,6-Dianhydro-2-deoxy-5-O-(2-methoxy-2-oxoethyl)-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-D-glucitol

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Systematic / IUPAC Name: Methyl 2-[[(3S,3aR,6R,6aS)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

ID: Reference9353

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-(2-methoxy-2-oxoethyl)-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-269175

Formula: C17H19F3N2O6

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-(2-methoxy-2-oxoethyl)-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-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 2
No. of Spectra 4919
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:21:49 PM
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Identificators

InChI InChI=1S/C17H19F3N2O6/c1-25-13(23)8-26-12-7-28-14-11(6-27-15(12)14)22-16(24)21-10-4-2-3-9(5-10)17(18,19)20/h2-5,11-12,14-15H,6-8H2,1H3,(H2,21,22,24)/t11-,12+,14+,15+/m0/s1
InChI Key VCXWXIGACZJSBA-CTHBEMJXSA-N
Canonical SMILES COC(=O)COC1COC2C1OCC2NC(=O)NC3=CC=CC(=C3)C(F)(F)F
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-(2-methoxy-2-oxoethyl)-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-269175

In Other Databases

ChemSpider 21384102
PubChem 26763399