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

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

ID: Reference13064

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-(4-piperidinylamino)-;
NAT12-540453

Formula: C17H29N3O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-(4-piperidinylamino)-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 825
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/15/2024 9:24:53 AM
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Identificators

InChI InChI=1S/C17H29N3O4/c1-22-11-15-9-13(20-24-15)8-14-2-3-16(21)17(23-14)10-19-12-4-6-18-7-5-12/h9,12,14,16-19,21H,2-8,10-11H2,1H3/t14-,16-,17+/m0/s1
InChI Key VKUVUSCPSUVPLE-BHYGNILZSA-N
Canonical SMILES COCC1=CC(=NO1)CC2CCC(C(O2)CNC3CCNCC3)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-(4-piperidinylamino)-;
NAT12-540453

In Other Databases

ChemSpider 29856554
PubChem 86768995