(1S)-1,5-Anhydro-6-(cyclohexylamino)-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-2-[(Cyclohexylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

ID: Reference11202

Other Names: D-arabino-Heptitol, 2,6-anhydro-7-(cyclohexylamino)-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540386

Formula: C22H29FN2O3

Spectral Data

(1S)-1,5-Anhydro-6-(cyclohexylamino)-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-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 2705
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/11/2022 10:03:39 AM
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Identificators

InChI InChI=1S/C22H29FN2O3/c23-16-8-6-15(7-9-16)21-13-18(25-28-21)12-19-10-11-20(26)22(27-19)14-24-17-4-2-1-3-5-17/h6-9,13,17,19-20,22,24,26H,1-5,10-12,14H2/t19-,20-,22+/m0/s1
InChI Key VMOFHNAKWBFBOR-JAXLGGSGSA-N
Canonical SMILES C1CCC(CC1)NCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=C(C=C4)F)O
CAS
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Other Names D-arabino-Heptitol, 2,6-anhydro-7-(cyclohexylamino)-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540386

In Other Databases

ChemSpider 29856508
PubChem 75536255