(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(3-fluorobenzyl)amino]-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-2-[[(3-Fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

ID: Reference11221

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(3-fluorophenyl)methyl]amino]-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540461

Formula: C19H25FN2O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(3-fluorobenzyl)amino]-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol 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 1157
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/18/2022 7:45:56 AM
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Identificators

InChI InChI=1S/C19H25FN2O4/c1-24-12-17-9-15(22-26-17)8-16-5-6-18(23)19(25-16)11-21-10-13-3-2-4-14(20)7-13/h2-4,7,9,16,18-19,21,23H,5-6,8,10-12H2,1H3/t16-,18-,19+/m0/s1
InChI Key CDAPOCMMOKDPMG-YTQUADARSA-N
Canonical SMILES COCC1=CC(=NO1)CC2CCC(C(O2)CNCC3=CC(=CC=C3)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(3-fluorophenyl)methyl]amino]-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540461

In Other Databases

PubChem 75536292
ChemSpider 29856559