1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-[(methylsulfonyl)amino]-D-arabinitol

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Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-4-Hydroxy-5-(methanesulfonamidomethyl)oxolan-3-yl]amino]methyl]benzoic acid

ID: Reference11943

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(methylsulfonyl)amino]-;
NAT19-551525

Formula: C14H20N2O6S

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-[(methylsulfonyl)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 1085
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/11/2022 2:09:55 PM
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Identificators

InChI InChI=1S/C14H20N2O6S/c1-23(20,21)16-7-12-13(17)11(8-22-12)15-6-9-2-4-10(5-3-9)14(18)19/h2-5,11-13,15-17H,6-8H2,1H3,(H,18,19)/t11-,12-,13+/m1/s1
InChI Key XDUGBQXEKFVXLR-UPJWGTAASA-N
Canonical SMILES CS(=O)(=O)NCC1C(C(CO1)NCC2=CC=C(C=C2)C(=O)O)O
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(methylsulfonyl)amino]-;
NAT19-551525

In Other Databases

ChemSpider 29858576
PubChem 75536665