5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-(5-Phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate

ID: Reference8970

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-, 5-[(4-acetylphenyl)carbamate];
NAT6-296238

Formula: C22H21N5O5

Spectral Data

5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-D-glucitol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3496
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/7/2019 10:31:48 AM
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Identificators

InChI InChI=1S/C22H21N5O5/c1-13(28)14-7-9-16(10-8-14)23-22(29)32-18-12-31-19-17(11-30-20(18)19)27-21(24-25-26-27)15-5-3-2-4-6-15/h2-10,17-20H,11-12H2,1H3,(H,23,29)/t17-,18+,19+,20+/m0/s1
InChI Key PYRPSURYXYEHEV-MTQWCTHYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3N4C(=NN=N4)C5=CC=CC=C5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-, 5-[(4-acetylphenyl)carbamate];
NAT6-296238

In Other Databases

PubChem 11886048
ChemSpider 10060371