5-Acetamido-1,4-anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]acetamide

ID: Reference12786

Other Names: D-Arabinitol, 5-(acetylamino)-1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-;
NAT19-551026

Formula: C15H22N2O5S

Spectral Data

5-Acetamido-1,4-anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-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 2265
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/29/2023 3:29:53 PM
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Identificators

InChI InChI=1S/C15H22N2O5S/c1-10(18)16-8-14-15(19)13(9-22-14)17-7-11-3-5-12(6-4-11)23(2,20)21/h3-6,13-15,17,19H,7-9H2,1-2H3,(H,16,18)/t13-,14-,15+/m1/s1
InChI Key ASUWAAYZRYVKPD-KFWWJZLASA-N
Canonical SMILES CC(=O)NCC1C(C(CO1)NCC2=CC=C(C=C2)S(=O)(=O)C)O
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Other Names D-Arabinitol, 5-(acetylamino)-1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-;
NAT19-551026

In Other Databases

PubChem 75536507
ChemSpider 29858382