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

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

ID: Reference12641

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(2-hydroxyphenyl)methyl]amino]-1-[5-(1-piperidinylmethyl)-3-isoxazolyl]-;
NAT12-541059

Formula: C23H33N3O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(2-hydroxybenzyl)amino]-1-{[5-(1-piperidinylmethyl)-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 539
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/10/2023 1:07:50 PM
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Identificators

InChI InChI=1S/C23H33N3O4/c27-21-7-3-2-6-17(21)14-24-15-23-22(28)9-8-19(29-23)12-18-13-20(30-25-18)16-26-10-4-1-5-11-26/h2-3,6-7,13,19,22-24,27-28H,1,4-5,8-12,14-16H2/t19-,22-,23+/m0/s1
InChI Key XLQBSTWJFHDYMK-AJSBUHFISA-N
Canonical SMILES C1CCN(CC1)CC2=CC(=NO2)CC3CCC(C(O3)CNCC4=CC=CC=C4O)O
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(2-hydroxyphenyl)methyl]amino]-1-[5-(1-piperidinylmethyl)-3-isoxazolyl]-;
NAT12-541059

In Other Databases

PubChem 75367034
ChemSpider 29856779