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

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

ID: Reference12032

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(phenylsulfonyl)amino]-;
NAT19-551625

Formula: C19H22N2O6S

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-[(phenylsulfonyl)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 1225
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/6/2022 8:25:55 AM
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Identificators

InChI InChI=1S/C19H22N2O6S/c22-18-16(20-10-13-6-8-14(9-7-13)19(23)24)12-27-17(18)11-21-28(25,26)15-4-2-1-3-5-15/h1-9,16-18,20-22H,10-12H2,(H,23,24)/t16-,17-,18+/m1/s1
InChI Key CICGTKLZRMTYDK-KURKYZTESA-N
Canonical SMILES C1C(C(C(O1)CNS(=O)(=O)C2=CC=CC=C2)O)NCC3=CC=C(C=C3)C(=O)O
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(phenylsulfonyl)amino]-;
NAT19-551625

In Other Databases

ChemSpider 29858601
PubChem 75536687