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

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

ID: Reference11217

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[(tetrahydro-2H-pyran-4-yl)amino]-;
NAT12-540403

Formula: C21H27FN2O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-(tetrahydro-2H-pyran-4-ylamino)-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 2609
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/18/2022 7:15:10 AM
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Identificators

InChI InChI=1S/C21H27FN2O4/c22-15-3-1-14(2-4-15)20-12-17(24-28-20)11-18-5-6-19(25)21(27-18)13-23-16-7-9-26-10-8-16/h1-4,12,16,18-19,21,23,25H,5-11,13H2/t18-,19-,21+/m0/s1
InChI Key VBTFHSQADAKFMH-IRFCIJBXSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)C3=CC=C(C=C3)F)CNC4CCOCC4)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[(tetrahydro-2H-pyran-4-yl)amino]-;
NAT12-540403

In Other Databases

PubChem 75536263
ChemSpider 29856518