1,4-Anhydro-5-(benzoylamino)-2,5-dideoxy-2-(3-oxetanylamino)-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide

ID: Reference11743

Other Names: D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-2-(3-oxetanylamino)-;
NAT19-554030

Formula: C15H20N2O4

Spectral Data

1,4-Anhydro-5-(benzoylamino)-2,5-dideoxy-2-(3-oxetanylamino)-D-arabinitol 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 1339
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/12/2022 11:18:02 AM
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Identificators

InChI InChI=1S/C15H20N2O4/c18-14-12(17-11-7-20-8-11)9-21-13(14)6-16-15(19)10-4-2-1-3-5-10/h1-5,11-14,17-18H,6-9H2,(H,16,19)/t12-,13-,14+/m1/s1
InChI Key LRGKDYARKAMKGQ-MCIONIFRSA-N
Canonical SMILES C1C(CO1)NC2COC(C2O)CNC(=O)C3=CC=CC=C3
CAS
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Other Names D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-2-(3-oxetanylamino)-;
NAT19-554030

In Other Databases

PubChem 75536820
ChemSpider 29858754
ChEMBL CHEMBL3436941